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<!DOCTYPE html>
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<title>pymatgen.apps.battery package — pymatgen 2023.7.17 documentation</title>
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<div class="local-toc"><ul>
<li><a class="reference internal" href="#">pymatgen.apps.battery package</a><ul>
<li><a class="reference internal" href="#submodules">Submodules</a></li>
<li><a class="reference internal" href="#module-pymatgen.apps.battery.analyzer">pymatgen.apps.battery.analyzer module</a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer"><code class="docutils literal notranslate"><span class="pre">BatteryAnalyzer</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer._get_int_removals_helper"><code class="docutils literal notranslate"><span class="pre">BatteryAnalyzer._get_int_removals_helper()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer._get_max_cap_ah"><code class="docutils literal notranslate"><span class="pre">BatteryAnalyzer._get_max_cap_ah()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_max_capgrav"><code class="docutils literal notranslate"><span class="pre">BatteryAnalyzer.get_max_capgrav()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_max_capvol"><code class="docutils literal notranslate"><span class="pre">BatteryAnalyzer.get_max_capvol()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_removals_int_oxid"><code class="docutils literal notranslate"><span class="pre">BatteryAnalyzer.get_removals_int_oxid()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_ion_insertion"><code class="docutils literal notranslate"><span class="pre">BatteryAnalyzer.max_ion_insertion</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_ion_removal"><code class="docutils literal notranslate"><span class="pre">BatteryAnalyzer.max_ion_removal</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.apps.battery.analyzer.is_redox_active_intercalation"><code class="docutils literal notranslate"><span class="pre">is_redox_active_intercalation()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#module-pymatgen.apps.battery.battery_abc">pymatgen.apps.battery.battery_abc module</a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.voltage_pairs"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.voltage_pairs</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.working_ion</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion_entry"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.working_ion_entry</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.framework_formula"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.framework_formula</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode._abc_impl"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode._abc_impl</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode._select_in_voltage_range"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode._select_in_voltage_range()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.framework"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.framework</span></code></a></li>
<li><a class="reference internal" href="#id0"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.framework_formula</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_average_voltage"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.get_average_voltage()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_capacity_grav"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.get_capacity_grav()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_capacity_vol"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.get_capacity_vol()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_energy_density"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.get_energy_density()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_specific_energy"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.get_specific_energy()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_sub_electrodes"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.get_sub_electrodes()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_summary_dict"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.get_summary_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.max_delta_volume"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.max_delta_volume</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.max_voltage"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.max_voltage</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.max_voltage_step"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.max_voltage_step</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.min_voltage"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.min_voltage</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.normalization_mass"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.normalization_mass</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.normalization_volume"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.normalization_volume</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.num_steps"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.num_steps</span></code></a></li>
<li><a class="reference internal" href="#id1"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.voltage_pairs</span></code></a></li>
<li><a class="reference internal" href="#id2"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.working_ion</span></code></a></li>
<li><a class="reference internal" href="#id3"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.working_ion_entry</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.x_charge"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.x_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.x_discharge"><code class="docutils literal notranslate"><span class="pre">AbstractElectrode.x_discharge</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.voltage"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.voltage</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mAh"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.mAh</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_charge"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.mass_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_discharge"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.mass_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_charge"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.vol_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_discharge"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.vol_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_charge"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.frac_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_discharge"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.frac_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.working_ion_entry"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.working_ion_entry</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.framework_formula"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.framework_formula</span></code></a></li>
<li><a class="reference internal" href="#id4"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.frac_charge</span></code></a></li>
<li><a class="reference internal" href="#id5"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.frac_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.framework"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.framework</span></code></a></li>
<li><a class="reference internal" href="#id6"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.framework_formula</span></code></a></li>
<li><a class="reference internal" href="#id7"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.mAh</span></code></a></li>
<li><a class="reference internal" href="#id8"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.mass_charge</span></code></a></li>
<li><a class="reference internal" href="#id9"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.mass_discharge</span></code></a></li>
<li><a class="reference internal" href="#id10"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.vol_charge</span></code></a></li>
<li><a class="reference internal" href="#id11"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.vol_discharge</span></code></a></li>
<li><a class="reference internal" href="#id12"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.voltage</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.working_ion"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.working_ion</span></code></a></li>
<li><a class="reference internal" href="#id13"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.working_ion_entry</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.x_charge"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.x_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.x_discharge"><code class="docutils literal notranslate"><span class="pre">AbstractVoltagePair.x_discharge</span></code></a></li>
</ul>
</li>
</ul>
</li>
<li><a class="reference internal" href="#module-pymatgen.apps.battery.conversion_battery">pymatgen.apps.battery.conversion_battery module</a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode._abc_impl"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode._abc_impl</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.from_composition_and_entries"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode.from_composition_and_entries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.from_composition_and_pd"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode.from_composition_and_pd()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.get_sub_electrodes"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode.get_sub_electrodes()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.get_summary_dict"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode.get_summary_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.initial_comp"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode.initial_comp</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.initial_comp_formula"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode.initial_comp_formula</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.is_super_electrode"><code class="docutils literal notranslate"><span class="pre">ConversionElectrode.is_super_electrode()</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.rxn"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.rxn</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.voltage"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.voltage</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.mAh"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.mAh</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.vol_charge"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.vol_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.vol_discharge"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.vol_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.mass_charge"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.mass_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.mass_discharge"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.mass_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.frac_charge"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.frac_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.frac_discharge"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.frac_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.entries_charge"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.entries_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.entries_discharge"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.entries_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.working_ion_entry"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.working_ion_entry</span></code></a></li>
<li><a class="reference internal" href="#id14"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.entries_charge</span></code></a></li>
<li><a class="reference internal" href="#id15"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.entries_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.conversion_battery.ConversionVoltagePair.from_steps"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.from_steps()</span></code></a></li>
<li><a class="reference internal" href="#id16"><code class="docutils literal notranslate"><span class="pre">ConversionVoltagePair.rxn</span></code></a></li>
</ul>
</li>
</ul>
</li>
<li><a class="reference internal" href="#module-pymatgen.apps.battery.insertion_battery">pymatgen.apps.battery.insertion_battery module</a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode._abc_impl"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode._abc_impl</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.as_dict_legacy"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.as_dict_legacy()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.from_dict_legacy"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.from_dict_legacy()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.from_entries"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.from_entries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.fully_charged_entry"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.fully_charged_entry</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.fully_discharged_entry"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.fully_discharged_entry</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_all_entries"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_all_entries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_max_instability"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_max_instability()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_max_muO2"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_max_muO2()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_min_instability"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_min_instability()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_min_muO2"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_min_muO2()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_stable_entries"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_stable_entries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_sub_electrodes"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_sub_electrodes()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_summary_dict"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_summary_dict()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.get_unstable_entries"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.get_unstable_entries()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.stable_entries"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.stable_entries</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionElectrode.unstable_entries"><code class="docutils literal notranslate"><span class="pre">InsertionElectrode.unstable_entries</span></code></a></li>
</ul>
</li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionVoltagePair"><code class="docutils literal notranslate"><span class="pre">InsertionVoltagePair</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionVoltagePair.entry_charge"><code class="docutils literal notranslate"><span class="pre">InsertionVoltagePair.entry_charge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionVoltagePair.entry_discharge"><code class="docutils literal notranslate"><span class="pre">InsertionVoltagePair.entry_discharge</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.insertion_battery.InsertionVoltagePair.from_entries"><code class="docutils literal notranslate"><span class="pre">InsertionVoltagePair.from_entries()</span></code></a></li>
</ul>
</li>
</ul>
</li>
<li><a class="reference internal" href="#module-pymatgen.apps.battery.plotter">pymatgen.apps.battery.plotter module</a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.plotter.VoltageProfilePlotter"><code class="docutils literal notranslate"><span class="pre">VoltageProfilePlotter</span></code></a><ul>
<li><a class="reference internal" href="#pymatgen.apps.battery.plotter.VoltageProfilePlotter._choose_best_x_lable"><code class="docutils literal notranslate"><span class="pre">VoltageProfilePlotter._choose_best_x_lable()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.plotter.VoltageProfilePlotter.add_electrode"><code class="docutils literal notranslate"><span class="pre">VoltageProfilePlotter.add_electrode()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.plotter.VoltageProfilePlotter.get_plot"><code class="docutils literal notranslate"><span class="pre">VoltageProfilePlotter.get_plot()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.plotter.VoltageProfilePlotter.get_plot_data"><code class="docutils literal notranslate"><span class="pre">VoltageProfilePlotter.get_plot_data()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.plotter.VoltageProfilePlotter.get_plotly_figure"><code class="docutils literal notranslate"><span class="pre">VoltageProfilePlotter.get_plotly_figure()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.plotter.VoltageProfilePlotter.save"><code class="docutils literal notranslate"><span class="pre">VoltageProfilePlotter.save()</span></code></a></li>
<li><a class="reference internal" href="#pymatgen.apps.battery.plotter.VoltageProfilePlotter.show"><code class="docutils literal notranslate"><span class="pre">VoltageProfilePlotter.show()</span></code></a></li>
</ul>
</li>
</ul>
</li>
</ul>
</li>
</ul>
</div>
</div>
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<section id="module-pymatgen.apps.battery">
<span id="pymatgen-apps-battery-package"></span><h1>pymatgen.apps.battery package<a class="headerlink" href="#module-pymatgen.apps.battery" title="Permalink to this heading"></a></h1>
<p>This package contains all battery-related application classes, including
representations of InsertionElectrodes and ConversionElectrodes.</p>
<section id="submodules">
<h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this heading"></a></h2>
</section>
<section id="module-pymatgen.apps.battery.analyzer">
<span id="pymatgen-apps-battery-analyzer-module"></span><h2>pymatgen.apps.battery.analyzer module<a class="headerlink" href="#module-pymatgen.apps.battery.analyzer" title="Permalink to this heading"></a></h2>
<p>Analysis classes for batteries.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.BatteryAnalyzer">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">BatteryAnalyzer</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">struc_oxid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">working_ion</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'Li'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">oxi_override</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>A suite of methods for starting with an oxidized structure and determining its potential as a battery.</p>
<p>Pass in a structure for analysis.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>struc_oxid</strong> – a Structure object; oxidation states <em>must</em> be assigned for this structure; disordered
structures should be OK</p></li>
<li><p><strong>working_ion</strong> – a String symbol or Element for the working ion.</p></li>
<li><p><strong>oxi_override</strong> – a dict of String element symbol, Integer oxidation state pairs.
by default, H, C, N, O, F, S, Cl, Se, Br, Te, I are considered anions.</p></li>
</ul>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.BatteryAnalyzer._get_int_removals_helper">
<span class="sig-name descname"><span class="pre">_get_int_removals_helper</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">spec_amts_oxi</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">redox_el</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">redox_els</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">numa</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer._get_int_removals_helper" title="Permalink to this definition"></a></dt>
<dd><p>This is a helper method for get_removals_int_oxid!</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>spec_amts_oxi</strong> – a dict of species to their amounts in the structure</p></li>
<li><p><strong>redox_el</strong> – the element to oxidize or reduce</p></li>
<li><p><strong>redox_els</strong> – the full list of elements that might be oxidized or reduced</p></li>
<li><p><strong>numa</strong> – a running set of numbers of A ion at integer oxidation steps</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>a set of numbers A; steps for oxidizing oxid_el first, then the other oxid_els in this list</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.BatteryAnalyzer._get_max_cap_ah">
<span class="sig-name descname"><span class="pre">_get_max_cap_ah</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">remove</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">insert</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer._get_max_cap_ah" title="Permalink to this definition"></a></dt>
<dd><p>Give max capacity in mAh for inserting and removing a charged ion
This method does not normalize the capacity and intended as a helper method.</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_max_capgrav">
<span class="sig-name descname"><span class="pre">get_max_capgrav</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">remove</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">insert</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_max_capgrav" title="Permalink to this definition"></a></dt>
<dd><p>Give max capacity in mAh/g for inserting and removing a charged ion
Note that the weight is normalized to the most ion-packed state,
thus removal of 1 Li from LiFePO4 gives the same capacity as insertion of 1 Li into FePO4.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>remove</strong> – (bool) whether to allow ion removal</p></li>
<li><p><strong>insert</strong> – (bool) whether to allow ion insertion</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>max grav capacity in mAh/g</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_max_capvol">
<span class="sig-name descname"><span class="pre">get_max_capvol</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">remove</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">insert</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">volume</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_max_capvol" title="Permalink to this definition"></a></dt>
<dd><p>Give max capacity in mAh/cc for inserting and removing a charged ion into base structure.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>remove</strong> – (bool) whether to allow ion removal</p></li>
<li><p><strong>insert</strong> – (bool) whether to allow ion insertion</p></li>
<li><p><strong>volume</strong> – (float) volume to use for normalization (default=volume of initial structure)</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>max vol capacity in mAh/cc</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_removals_int_oxid">
<span class="sig-name descname"><span class="pre">get_removals_int_oxid</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.get_removals_int_oxid" title="Permalink to this definition"></a></dt>
<dd><p>Returns a set of ion removal steps, e.g. set([1 2 4]) etc. in order to
produce integer oxidation states of the redox metals.
If multiple redox metals are present, all combinations of reduction/oxidation are tested.
Note that having more than 3 redox metals will likely slow down the algorithm.</p>
<p class="rubric">Examples</p>
<p>LiFePO4 will return [1]
Li4Fe3Mn1(PO4)4 will return [1, 2, 3, 4])
Li6V4(PO4)6 will return [4, 6]) <em>note that this example is not normalized</em></p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>array of integer ion removals. If you double the unit cell, your answers will be twice as large!</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_ion_insertion">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">max_ion_insertion</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_ion_insertion" title="Permalink to this definition"></a></dt>
<dd><p>Maximum number of ion A that can be inserted while maintaining charge-balance.
No consideration is given to whether there (geometrically speaking) are ion sites to actually accommodate the
extra ions.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>integer amount of ion. Depends on cell size (this is an ‘extrinsic’ function!)</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_ion_removal">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">max_ion_removal</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.BatteryAnalyzer.max_ion_removal" title="Permalink to this definition"></a></dt>
<dd><p>Maximum number of ion A that can be removed while maintaining charge-balance.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>integer amount of ion. Depends on cell size (this is an ‘extrinsic’ function!)</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.apps.battery.analyzer.is_redox_active_intercalation">
<span class="sig-name descname"><span class="pre">is_redox_active_intercalation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">element</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">bool</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/analyzer.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.analyzer.is_redox_active_intercalation" title="Permalink to this definition"></a></dt>
<dd><p>True if element is redox active and interesting for intercalation materials.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>element</strong> – Element object</p>
</dd>
</dl>
</dd></dl>
</section>
<section id="module-pymatgen.apps.battery.battery_abc">
<span id="pymatgen-apps-battery-battery-abc-module"></span><h2>pymatgen.apps.battery.battery_abc module<a class="headerlink" href="#module-pymatgen.apps.battery.battery_abc" title="Permalink to this heading"></a></h2>
<p>This module defines the abstract base classes for battery-related classes.
Regardless of the kind of electrode, conversion or insertion, there are many
common definitions and properties, e.g., average voltage, capacity, etc. which
can be defined in a general way. The Abc for battery classes implements some of
these common definitions to allow sharing of common logic between them.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AbstractElectrode</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">voltage_pairs</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair" title="pymatgen.apps.battery.battery_abc.AbstractVoltagePair"><span class="pre">AbstractVoltagePair</span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">working_ion_entry</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.entries.html#pymatgen.entries.computed_entries.ComputedEntry" title="pymatgen.entries.computed_entries.ComputedEntry"><span class="pre">ComputedEntry</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">framework_formula</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Sequence</span></code>, <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code></p>
<p>An Abstract Base Class representing an Electrode. It is essentially a
sequence of VoltagePairs. Generally, subclasses only need to implement
three abstract properties: voltage_pairs, working_ion and
working_ion_entry.</p>
<p>The general concept is that all other battery properties such as capacity,
etc. are derived from voltage pairs.</p>
<p>One of the major challenges with representing battery materials is keeping
track of the normalization between different entries. For example, one
entry might be TiO2 with one unit cell whereas another is LiTi2O4 with two
unit cells. When computing battery properties, it is needed to always use
a universal reference state otherwise you have normalization errors (e.g.,
the energy of LiTi2O4 must be divided by two to be compared with TiO2).</p>
<p>For properties such as volume, mass, or mAh transferred within the voltage
pair, a universal convention is necessary. AbstractElectrode can query for
extrinsic properties of several different AbstractVoltagePairs belonging to
a single charge/discharge path and be confident that the normalization is
being carried out properly throughout, even if more AbstractVoltagePairs
are added later.</p>
<p>The universal normalization is defined by the reduced structural framework
of the entries, which is common along the entire charge/discharge path. For
example, LiTi2O4 has a reduced structural framework of TiO2. Another
example is Li9V6P16O58 which would have a reduced structural framework of
V3P8O29. Note that reduced structural frameworks need not be
charge-balanced or physical, e.g. V3P8O29 is not charge-balanced, they are
just a tool for normalization.</p>
<p>Example: for a LiTi2O4 -> TiO2 AbstractVoltagePair, extrinsic quantities
like mAh or cell volumes are given per TiO2 formula unit.</p>
<p>Developers implementing a new battery (other than the two general ones
already implemented) need to implement a VoltagePair and an Electrode.</p>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.voltage_pairs">
<span class="sig-name descname"><span class="pre">voltage_pairs</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.voltage_pairs" title="Permalink to this definition"></a></dt>
<dd><p>Objects that represent each voltage step</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>tuple[<a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair" title="pymatgen.apps.battery.battery_abc.AbstractVoltagePair">AbstractVoltagePair</a>, …]</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion">
<span class="sig-name descname"><span class="pre">working_ion</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion" title="Permalink to this definition"></a></dt>
<dd><p>Representation of the working ion that only contains element type</p>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion_entry">
<span class="sig-name descname"><span class="pre">working_ion_entry</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.working_ion_entry" title="Permalink to this definition"></a></dt>
<dd><p>Representation of the working_ion that contains the energy</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p><a class="reference internal" href="pymatgen.entries.html#pymatgen.entries.computed_entries.ComputedEntry" title="pymatgen.entries.computed_entries.ComputedEntry">ComputedEntry</a></p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.framework_formula">
<span class="sig-name descname"><span class="pre">framework_formula</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.framework_formula" title="Permalink to this definition"></a></dt>
<dd><p>The compositions of one formula unit of the host material</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>str</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode._abc_impl">
<span class="sig-name descname"><span class="pre">_abc_impl</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre"><_abc._abc_data</span> <span class="pre">object></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode._abc_impl" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode._select_in_voltage_range">
<span class="sig-name descname"><span class="pre">_select_in_voltage_range</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">min_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode._select_in_voltage_range" title="Permalink to this definition"></a></dt>
<dd><p>Selects VoltagePairs within a certain voltage range.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>min_voltage</strong> (<em>float</em>) – The minimum allowable voltage for a given
step.</p></li>
<li><p><strong>max_voltage</strong> (<em>float</em>) – The maximum allowable voltage allowable for a
given step.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>A list of VoltagePair objects</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.framework">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">framework</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.framework" title="Permalink to this definition"></a></dt>
<dd><p>The composition object representing the framework.</p>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id0">
<span class="sig-name descname"><span class="pre">framework_formula</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id0" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.get_average_voltage">
<span class="sig-name descname"><span class="pre">get_average_voltage</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">min_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_average_voltage" title="Permalink to this definition"></a></dt>
<dd><p>Average voltage for path satisfying between a min and max voltage.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>min_voltage</strong> (<em>float</em>) – The minimum allowable voltage for a given
step.</p></li>
<li><p><strong>max_voltage</strong> (<em>float</em>) – The maximum allowable voltage allowable for a
given step.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Average voltage in V across the insertion path (a subset of the
path can be chosen by the optional arguments)</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.get_capacity_grav">
<span class="sig-name descname"><span class="pre">get_capacity_grav</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">min_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_overall_normalization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_capacity_grav" title="Permalink to this definition"></a></dt>
<dd><p>Get the gravimetric capacity of the electrode.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>min_voltage</strong> (<em>float</em>) – The minimum allowable voltage for a given
step.</p></li>
<li><p><strong>max_voltage</strong> (<em>float</em>) – The maximum allowable voltage allowable for a
given step.</p></li>
<li><p><strong>use_overall_normalization</strong> (<em>booL</em>) – If False, normalize by the
discharged state of only the voltage pairs matching the voltage
criteria. if True, use default normalization of the full
electrode path.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Gravimetric capacity in mAh/g across the insertion path (a subset
of the path can be chosen by the optional arguments).</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.get_capacity_vol">
<span class="sig-name descname"><span class="pre">get_capacity_vol</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">min_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_overall_normalization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_capacity_vol" title="Permalink to this definition"></a></dt>
<dd><p>Get the volumetric capacity of the electrode.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>min_voltage</strong> (<em>float</em>) – The minimum allowable voltage for a given
step.</p></li>
<li><p><strong>max_voltage</strong> (<em>float</em>) – The maximum allowable voltage allowable for a
given step.</p></li>
<li><p><strong>use_overall_normalization</strong> (<em>booL</em>) – If False, normalize by the
discharged state of only the voltage pairs matching the voltage
criteria. if True, use default normalization of the full
electrode path.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Volumetric capacity in mAh/cc across the insertion path (a subset
of the path can be chosen by the optional arguments)</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.get_energy_density">
<span class="sig-name descname"><span class="pre">get_energy_density</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">min_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_overall_normalization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_energy_density" title="Permalink to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>min_voltage</strong> (<em>float</em>) – The minimum allowable voltage for a given
step.</p></li>
<li><p><strong>max_voltage</strong> (<em>float</em>) – The maximum allowable voltage allowable for a
given step.</p></li>
<li><p><strong>use_overall_normalization</strong> (<em>booL</em>) – If False, normalize by the
discharged state of only the voltage pairs matching the voltage
criteria. if True, use default normalization of the full
electrode path.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Energy density in Wh/L across the insertion path (a subset of the
path can be chosen by the optional arguments).</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.get_specific_energy">
<span class="sig-name descname"><span class="pre">get_specific_energy</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">min_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_voltage</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_overall_normalization</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_specific_energy" title="Permalink to this definition"></a></dt>
<dd><p>Returns the specific energy of the battery in mAh/g.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>min_voltage</strong> (<em>float</em>) – The minimum allowable voltage for a given
step.</p></li>
<li><p><strong>max_voltage</strong> (<em>float</em>) – The maximum allowable voltage allowable for a
given step.</p></li>
<li><p><strong>use_overall_normalization</strong> (<em>booL</em>) – If False, normalize by the
discharged state of only the voltage pairs matching the voltage
criteria. if True, use default normalization of the full
electrode path.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Specific energy in Wh/kg across the insertion path (a subset of
the path can be chosen by the optional arguments)</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.get_sub_electrodes">
<span class="sig-name descname"><span class="pre">get_sub_electrodes</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">adjacent_only</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_sub_electrodes" title="Permalink to this definition"></a></dt>
<dd><p>If this electrode contains multiple voltage steps, then it is possible
to use only a subset of the voltage steps to define other electrodes.
Must be implemented for each electrode object.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>adjacent_only</strong> – Only return electrodes from compounds that are
adjacent on the convex hull, i.e. no electrodes returned
will have multiple voltage steps if this is set true</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>A list of Electrode objects</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.get_summary_dict">
<span class="sig-name descname"><span class="pre">get_summary_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">print_subelectrodes</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">→</span> <span class="sig-return-typehint"><span class="pre">dict</span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.get_summary_dict" title="Permalink to this definition"></a></dt>
<dd><p>Generate a summary dict.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>print_subelectrodes</strong> – Also print data on all the possible
subelectrodes.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>A summary of this electrode’s properties in dict format.</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.max_delta_volume">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">max_delta_volume</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.max_delta_volume" title="Permalink to this definition"></a></dt>
<dd><p>Maximum volume change along insertion.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.max_voltage">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">max_voltage</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.max_voltage" title="Permalink to this definition"></a></dt>
<dd><p>Highest voltage along insertion.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.max_voltage_step">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">max_voltage_step</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.max_voltage_step" title="Permalink to this definition"></a></dt>
<dd><p>Maximum absolute difference in adjacent voltage steps.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.min_voltage">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">min_voltage</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.min_voltage" title="Permalink to this definition"></a></dt>
<dd><p>Lowest voltage along insertion.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.normalization_mass">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">normalization_mass</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.normalization_mass" title="Permalink to this definition"></a></dt>
<dd><p>Mass used for normalization. This is the mass of the discharged
electrode of the last voltage pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>Returns</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.normalization_volume">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">normalization_volume</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.normalization_volume" title="Permalink to this definition"></a></dt>
<dd><p>Mass used for normalization. This is the vol of the discharged
electrode of the last voltage pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>Returns</p>
</dd>
</dl>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.num_steps">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">num_steps</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.num_steps" title="Permalink to this definition"></a></dt>
<dd><p>The number of distinct voltage steps in from fully charge to discharge
based on the stable intermediate states.</p>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id1">
<span class="sig-name descname"><span class="pre">voltage_pairs</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair" title="pymatgen.apps.battery.battery_abc.AbstractVoltagePair"><span class="pre">AbstractVoltagePair</span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="p"><span class="pre">]</span></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id1" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="id2">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">working_ion</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id2" title="Permalink to this definition"></a></dt>
<dd><p>Working ion as pymatgen Element object.</p>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id3">
<span class="sig-name descname"><span class="pre">working_ion_entry</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="pymatgen.entries.html#pymatgen.entries.computed_entries.ComputedEntry" title="pymatgen.entries.computed_entries.ComputedEntry"><span class="pre">ComputedEntry</span></a></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id3" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.x_charge">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">x_charge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.x_charge" title="Permalink to this definition"></a></dt>
<dd><p>The number of working ions per formula unit of host in the charged state.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractElectrode.x_discharge">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">x_discharge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode.x_discharge" title="Permalink to this definition"></a></dt>
<dd><p>The number of working ions per formula unit of host in the discharged state.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">AbstractVoltagePair</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">voltage</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mAh</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mass_charge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">mass_discharge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">vol_charge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">vol_discharge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">frac_charge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">frac_discharge</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">working_ion_entry</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.entries.html#pymatgen.entries.computed_entries.ComputedEntry" title="pymatgen.entries.computed_entries.ComputedEntry"><span class="pre">ComputedEntry</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">framework_formula</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">MSONable</span></code></p>
<p>An Abstract Base Class for a Voltage Pair.</p>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.voltage">
<span class="sig-name descname"><span class="pre">voltage</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.voltage" title="Permalink to this definition"></a></dt>
<dd><p>Voltage of voltage pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mAh">
<span class="sig-name descname"><span class="pre">mAh</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mAh" title="Permalink to this definition"></a></dt>
<dd><p>Energy in mAh.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_charge">
<span class="sig-name descname"><span class="pre">mass_charge</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_charge" title="Permalink to this definition"></a></dt>
<dd><p>Mass of charged pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_discharge">
<span class="sig-name descname"><span class="pre">mass_discharge</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.mass_discharge" title="Permalink to this definition"></a></dt>
<dd><p>Mass of discharged pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_charge">
<span class="sig-name descname"><span class="pre">vol_charge</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_charge" title="Permalink to this definition"></a></dt>
<dd><p>Vol of charged pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_discharge">
<span class="sig-name descname"><span class="pre">vol_discharge</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.vol_discharge" title="Permalink to this definition"></a></dt>
<dd><p>Vol of discharged pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_charge">
<span class="sig-name descname"><span class="pre">frac_charge</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_charge" title="Permalink to this definition"></a></dt>
<dd><p>Frac of working ion in charged pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_discharge">
<span class="sig-name descname"><span class="pre">frac_discharge</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.frac_discharge" title="Permalink to this definition"></a></dt>
<dd><p>Frac of working ion in discharged pair.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>float</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.working_ion_entry">
<span class="sig-name descname"><span class="pre">working_ion_entry</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.working_ion_entry" title="Permalink to this definition"></a></dt>
<dd><p>Working ion as an entry.</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p><a class="reference internal" href="pymatgen.entries.html#pymatgen.entries.computed_entries.ComputedEntry" title="pymatgen.entries.computed_entries.ComputedEntry">ComputedEntry</a></p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.framework_formula">
<span class="sig-name descname"><span class="pre">framework_formula</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.framework_formula" title="Permalink to this definition"></a></dt>
<dd><p>The compositions of one formula unit of the host material</p>
<dl class="field-list simple">
<dt class="field-odd">Type<span class="colon">:</span></dt>
<dd class="field-odd"><p>str</p>
</dd>
</dl>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id4">
<span class="sig-name descname"><span class="pre">frac_charge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id4" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id5">
<span class="sig-name descname"><span class="pre">frac_discharge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id5" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.framework">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">framework</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="pymatgen.core.html#pymatgen.core.composition.Composition" title="pymatgen.core.composition.Composition"><span class="pre">Composition</span></a></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.framework" title="Permalink to this definition"></a></dt>
<dd><p>The composition object representing the framework.</p>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id6">
<span class="sig-name descname"><span class="pre">framework_formula</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">str</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id6" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id7">
<span class="sig-name descname"><span class="pre">mAh</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id7" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id8">
<span class="sig-name descname"><span class="pre">mass_charge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id8" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id9">
<span class="sig-name descname"><span class="pre">mass_discharge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id9" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id10">
<span class="sig-name descname"><span class="pre">vol_charge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id10" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id11">
<span class="sig-name descname"><span class="pre">vol_discharge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id11" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id12">
<span class="sig-name descname"><span class="pre">voltage</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id12" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.working_ion">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">working_ion</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="pymatgen.core.html#pymatgen.core.periodic_table.Element" title="pymatgen.core.periodic_table.Element"><span class="pre">Element</span></a></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.working_ion" title="Permalink to this definition"></a></dt>
<dd><p>Working ion as pymatgen Element object.</p>
</dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="id13">
<span class="sig-name descname"><span class="pre">working_ion_entry</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><a class="reference internal" href="pymatgen.entries.html#pymatgen.entries.computed_entries.ComputedEntry" title="pymatgen.entries.computed_entries.ComputedEntry"><span class="pre">ComputedEntry</span></a></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#id13" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.x_charge">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">x_charge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.x_charge" title="Permalink to this definition"></a></dt>
<dd><p>The number of working ions per formula unit of host in the charged state.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.apps.battery.battery_abc.AbstractVoltagePair.x_discharge">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">x_discharge</span></span><em class="property"><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="pre">float</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/battery_abc.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair.x_discharge" title="Permalink to this definition"></a></dt>
<dd><p>The number of working ions per formula unit of host in the discharged state.</p>
</dd></dl>
</dd></dl>
</section>
<section id="module-pymatgen.apps.battery.conversion_battery">
<span id="pymatgen-apps-battery-conversion-battery-module"></span><h2>pymatgen.apps.battery.conversion_battery module<a class="headerlink" href="#module-pymatgen.apps.battery.conversion_battery" title="Permalink to this heading"></a></h2>
<p>This module contains the classes to build a ConversionElectrode.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.apps.battery.conversion_battery.ConversionElectrode">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">ConversionElectrode</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">voltage_pairs</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">tuple</span><span class="p"><span class="pre">[</span></span><a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractVoltagePair" title="pymatgen.apps.battery.battery_abc.AbstractVoltagePair"><span class="pre">AbstractVoltagePair</span></a><span class="p"><span class="pre">,</span></span><span class="w"> </span><span class="p"><span class="pre">...</span></span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">working_ion_entry</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.entries.html#pymatgen.entries.computed_entries.ComputedEntry" title="pymatgen.entries.computed_entries.ComputedEntry"><span class="pre">ComputedEntry</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">framework_formula</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">initial_comp_formula</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/conversion_battery.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.apps.battery.battery_abc.AbstractElectrode" title="pymatgen.apps.battery.battery_abc.AbstractElectrode"><code class="xref py py-class docutils literal notranslate"><span class="pre">AbstractElectrode</span></code></a></p>
<p>Class representing a ConversionElectrode, since it is dataclass
this object can be constructed for the attributes.
However, it is usually easier to construct a ConversionElectrode using one of the classmethod
constructors provided.</p>
<dl>
<dt>Attribute:</dt><dd><p>voltage_pairs: The voltage pairs making up the Conversion Electrode.
working_ion_entry: A single ComputedEntry or PDEntry</p>
<blockquote>
<div><p>representing the element that carries charge across the
battery, e.g. Li.</p>
</div></blockquote>
<dl class="simple">
<dt>initial_comp_formula: Starting composition for ConversionElectrode represented</dt><dd><p>as a string/formula.</p>
</dd>
</dl>
</dd>
</dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.apps.battery.conversion_battery.ConversionElectrode._abc_impl">
<span class="sig-name descname"><span class="pre">_abc_impl</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre"><_abc._abc_data</span> <span class="pre">object></span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/conversion_battery.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode._abc_impl" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.conversion_battery.ConversionElectrode.from_composition_and_entries">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_composition_and_entries</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">comp</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">entries_in_chemsys</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">working_ion_symbol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'Li'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">allow_unstable</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/conversion_battery.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.from_composition_and_entries" title="Permalink to this definition"></a></dt>
<dd><p>Convenience constructor to make a ConversionElectrode from a
composition and all entries in a chemical system.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>comp</strong> – Starting composition for ConversionElectrode, e.g.,
Composition(“FeF3”)</p></li>
<li><p><strong>entries_in_chemsys</strong> – Sequence containing all entries in a
chemical system. E.g., all Li-Fe-F containing entries.</p></li>
<li><p><strong>working_ion_symbol</strong> – Element symbol of working ion. Defaults to Li.</p></li>
<li><p><strong>allow_unstable</strong> – If True, allow any composition to be used as the
starting point of a conversion voltage curve, this is useful
for comparing with insertion electrodes</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.conversion_battery.ConversionElectrode.from_composition_and_pd">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_composition_and_pd</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">comp</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">pd</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">working_ion_symbol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'Li'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">allow_unstable</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/conversion_battery.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.from_composition_and_pd" title="Permalink to this definition"></a></dt>
<dd><p>Convenience constructor to make a ConversionElectrode from a
composition and a phase diagram.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>comp</strong> – Starting composition for ConversionElectrode, e.g.,
Composition(“FeF3”)</p></li>
<li><p><strong>pd</strong> – A PhaseDiagram of the relevant system (e.g., Li-Fe-F)</p></li>
<li><p><strong>working_ion_symbol</strong> – Element symbol of working ion. Defaults to Li.</p></li>
<li><p><strong>allow_unstable</strong> – Allow compositions that are unstable</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.apps.battery.conversion_battery.ConversionElectrode.get_sub_electrodes">
<span class="sig-name descname"><span class="pre">get_sub_electrodes</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">adjacent_only</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.7.17/pymatgen/apps/battery/conversion_battery.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.apps.battery.conversion_battery.ConversionElectrode.get_sub_electrodes" title="Permalink to this definition"></a></dt>
<dd><p>If this electrode contains multiple voltage steps, then it is possible
to use only a subset of the voltage steps to define other electrodes.
For example, an LiTiO2 electrode might contain three subelectrodes:
[LiTiO2 –> TiO2, LiTiO2 –> Li0.5TiO2, Li0.5TiO2 –> TiO2]
This method can be used to return all the subelectrodes with some
options.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>adjacent_only</strong> – Only return electrodes from compounds that are
adjacent on the convex hull, i.e. no electrodes returned
will have multiple voltage steps if this is set true</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>A list of ConversionElectrode objects</p>