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<section id="module-pymatgen.ext.matproj">
<span id="pymatgen-ext-matproj-module"></span><h1>pymatgen.ext.matproj module<a class="headerlink" href="#module-pymatgen.ext.matproj" title="Permalink to this heading"></a></h1>
<p>This module provides classes to interface with the Materials Project REST
API v2 to enable the creation of data structures and pymatgen objects using
Materials Project data.</p>
<p>To make use of the Materials API, you need to be a registered user of the
Materials Project, and obtain an API key by going to your dashboard at
<a class="reference external" href="https://materialsproject.org/dashboard">https://materialsproject.org/dashboard</a>.</p>
<dl class="py exception">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.MPRestError">
<em class="property"><span class="pre">exception</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">MPRestError</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../ext/matproj.py#L1777-L1778"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.MPRestError" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Exception</span></code></p>
<p>Exception class for legacy MPRestAdaptor. Raised when query is malformed.</p>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.MPRester">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">MPRester</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../ext/matproj.py#L1737-L1774"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.MPRester" 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 class to conveniently interface with the new and legacy Materials Project REST
interface. The recommended way to use MPRester is as a context manager to ensure
that sessions are properly closed after usage:</p>
<blockquote>
<div><dl class="simple">
<dt>with MPRester(“API_KEY”) as mpr:</dt><dd><p>docs = mpr.call_some_method()</p>
</dd>
</dl>
</div></blockquote>
<p>MPRester uses the “requests” package, which provides HTTP connection
pooling. All connections are made via https for security.</p>
<p>For more advanced uses of the Materials API, please consult the API
documentation at <a class="reference external" href="https://materialsproject.org/api">https://materialsproject.org/api</a> and <a class="reference external" href="https://docs.materialsproject.org">https://docs.materialsproject.org</a>.</p>
<p>This class handles the transition between old and new MP API, making it easy to switch between them
by passing a new (length 32) or old (15 <= length <= 17) API key. See <a class="reference external" href="https://docs.materialsproject.org">https://docs.materialsproject.org</a>
for which API to use.</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>*args</strong> – Pass through to either legacy or new MPRester.</p></li>
<li><p><strong>**kwargs</strong> – Pass through to either legacy or new MPRester.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">TaskType</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">value</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">names</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="o"><span class="pre">*</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">module</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">qualname</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">type</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">start</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">boundary</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/v2023.5.10/pymatgen/core/../ext/matproj.py#L64-L81"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">Enum</span></code></p>
<p>task types available in legacy MP data</p>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGAU_DEF">
<span class="sig-name descname"><span class="pre">GGAU_DEF</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA+U</span> <span class="pre">Deformation'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGAU_DEF" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGAU_LINE">
<span class="sig-name descname"><span class="pre">GGAU_LINE</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA+U</span> <span class="pre">NSCF</span> <span class="pre">Line'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGAU_LINE" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGAU_OPT">
<span class="sig-name descname"><span class="pre">GGAU_OPT</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA+U</span> <span class="pre">Structure</span> <span class="pre">Optimization'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGAU_OPT" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGAU_STATIC">
<span class="sig-name descname"><span class="pre">GGAU_STATIC</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA+U</span> <span class="pre">Static'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGAU_STATIC" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGAU_STATIC_DIEL">
<span class="sig-name descname"><span class="pre">GGAU_STATIC_DIEL</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA+U</span> <span class="pre">Static</span> <span class="pre">Dielectric'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGAU_STATIC_DIEL" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGAU_UNIFORM">
<span class="sig-name descname"><span class="pre">GGAU_UNIFORM</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA+U</span> <span class="pre">NSCF</span> <span class="pre">Uniform'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGAU_UNIFORM" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGA_DEF">
<span class="sig-name descname"><span class="pre">GGA_DEF</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA</span> <span class="pre">Deformation'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGA_DEF" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGA_LINE">
<span class="sig-name descname"><span class="pre">GGA_LINE</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA</span> <span class="pre">NSCF</span> <span class="pre">Line'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGA_LINE" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGA_OPT">
<span class="sig-name descname"><span class="pre">GGA_OPT</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA</span> <span class="pre">Structure</span> <span class="pre">Optimization'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGA_OPT" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGA_STATIC">
<span class="sig-name descname"><span class="pre">GGA_STATIC</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA</span> <span class="pre">Static'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGA_STATIC" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGA_STATIC_DIEL">
<span class="sig-name descname"><span class="pre">GGA_STATIC_DIEL</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA</span> <span class="pre">Static</span> <span class="pre">Dielectric'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGA_STATIC_DIEL" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.GGA_UNIFORM">
<span class="sig-name descname"><span class="pre">GGA_UNIFORM</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'GGA</span> <span class="pre">NSCF</span> <span class="pre">Uniform'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.GGA_UNIFORM" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.LDA_STATIC_DIEL">
<span class="sig-name descname"><span class="pre">LDA_STATIC_DIEL</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'LDA</span> <span class="pre">Static</span> <span class="pre">Dielectric'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.LDA_STATIC_DIEL" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
<dl class="py attribute">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.TaskType.SCAN_OPT">
<span class="sig-name descname"><span class="pre">SCAN_OPT</span></span><em class="property"><span class="w"> </span><span class="p"><span class="pre">=</span></span><span class="w"> </span><span class="pre">'SCAN</span> <span class="pre">Structure</span> <span class="pre">Optimization'</span></em><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/ext/matproj.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.TaskType.SCAN_OPT" title="Permalink to this definition"></a></dt>
<dd></dd></dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.ext.matproj.get_chunks">
<span class="sig-name descname"><span class="pre">get_chunks</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">sequence</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">Sequence</span><span class="p"><span class="pre">[</span></span><span class="pre">Any</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">size</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../ext/matproj.py#L51-L61"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.ext.matproj.get_chunks" 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>sequence</strong> (<em>Sequence</em><em>[</em><em>Any</em><em>]</em>) – Any sequence.</p></li>
<li><p><strong>size</strong> (<em>int</em>) – Chunk length. Defaults to 1.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>input sequence in chunks of length size.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>list[Sequence[Any]]</p>
</dd>
</dl>
</dd></dl>
</section>
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