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<section id="module-pymatgen.util.plotting">
<span id="pymatgen-util-plotting-module"></span><h1>pymatgen.util.plotting module<a class="headerlink" href="#module-pymatgen.util.plotting" title="Permalink to this heading"></a></h1>
<p>Utilities for generating nicer plots.</p>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.add_fig_kwargs">
<span class="sig-name descname"><span class="pre">add_fig_kwargs</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">func</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L580-L677"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.add_fig_kwargs" title="Permalink to this definition"></a></dt>
<dd><p>Decorator that adds keyword arguments for functions returning matplotlib
figures.</p>
<p>The function should return either a matplotlib figure or None to signal
some sort of error/unexpected event.
See doc string below for the list of supported options.</p>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.format_formula">
<span class="sig-name descname"><span class="pre">format_formula</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">formula</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L330-L355"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.format_formula" title="Permalink to this definition"></a></dt>
<dd><p>Converts str of chemical formula into
latex format for labelling purposes</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>formula</strong> (<em>str</em>) – Chemical formula</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.get_ax3d_fig_plt">
<span class="sig-name descname"><span class="pre">get_ax3d_fig_plt</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ax</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><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/../util/plotting.py#L515-L538"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.get_ax3d_fig_plt" title="Permalink to this definition"></a></dt>
<dd><p>Helper function used in plot functions supporting an optional Axes3D
argument. If ax is None, we build the <cite>matplotlib</cite> figure and create the
Axes3D else we return the current active figure.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>kwargs</strong> – keyword arguments are passed to plt.figure if ax is not None.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p><code class="xref py py-class docutils literal notranslate"><span class="pre">Axes</span></code> object
figure: matplotlib figure
plt: matplotlib pyplot module.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>ax</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.get_ax_fig_plt">
<span class="sig-name descname"><span class="pre">get_ax_fig_plt</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ax</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><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/../util/plotting.py#L490-L512"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.get_ax_fig_plt" title="Permalink to this definition"></a></dt>
<dd><p>Helper function used in plot functions supporting an optional Axes argument.
If ax is None, we build the <cite>matplotlib</cite> figure and create the Axes else
we return the current active figure.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>kwargs</strong> – keyword arguments are passed to plt.figure if ax is not None.</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p><code class="xref py py-class docutils literal notranslate"><span class="pre">Axes</span></code> object
figure: matplotlib figure
plt: matplotlib pyplot module.</p>
</dd>
<dt class="field-odd">Return type<span class="colon">:</span></dt>
<dd class="field-odd"><p>ax</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.get_axarray_fig_plt">
<span class="sig-name descname"><span class="pre">get_axarray_fig_plt</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">ax_array</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">nrows</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">ncols</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">sharex</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">sharey</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">squeeze</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">subplot_kw</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">gridspec_kw</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><span class="n"><span class="pre">fig_kw</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L541-L577"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.get_axarray_fig_plt" title="Permalink to this definition"></a></dt>
<dd><p>Helper function used in plot functions that accept an optional array of Axes
as argument. If ax_array is None, we build the <cite>matplotlib</cite> figure and
create the array of Axes by calling plt.subplots else we return the
current active figure.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Array of <code class="xref py py-class docutils literal notranslate"><span class="pre">Axes</span></code> objects
figure: matplotlib figure
plt: matplotlib pyplot module.</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>ax</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.periodic_table_heatmap">
<span class="sig-name descname"><span class="pre">periodic_table_heatmap</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">elemental_data</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbar_label</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">''</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cbar_label_size</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">14</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">show_plot</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cmap</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'YlOrRd'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">cmap_range</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">blank_color</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'grey'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">edge_color</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">'white'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">value_format</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">value_fontsize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">10</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symbol_fontsize</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">14</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">max_row</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">9</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">readable_fontcolor</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/v2023.5.10/pymatgen/core/../util/plotting.py#L184-L327"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.periodic_table_heatmap" title="Permalink to this definition"></a></dt>
<dd><p>A static method that generates a heat map overlaid on a periodic table.</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>elemental_data</strong> (<em>dict</em>) – A dictionary with the element as a key and a
value assigned to it, e.g. surface energy and frequency, etc.
Elements missing in the elemental_data will be grey by default
in the final table elemental_data={“Fe”: 4.2, “O”: 5.0}.</p></li>
<li><p><strong>cbar_label</strong> (<em>str</em>) – Label of the color bar. Default is “”.</p></li>
<li><p><strong>cbar_label_size</strong> (<em>float</em>) – Font size for the color bar label. Default is 14.</p></li>
<li><p><strong>cmap_range</strong> (<em>tuple</em>) – Minimum and maximum value of the color map scale.
If None, the color map will automatically scale to the range of the
data.</p></li>
<li><p><strong>show_plot</strong> (<em>bool</em>) – Whether to show the heatmap. Default is False.</p></li>
<li><p><strong>value_format</strong> (<em>str</em>) – Formatting string to show values. If None, no value
is shown. Example: “%.4f” shows float to four decimals.</p></li>
<li><p><strong>value_fontsize</strong> (<em>float</em>) – Font size for values. Default is 10.</p></li>
<li><p><strong>symbol_fontsize</strong> (<em>float</em>) – Font size for element symbols. Default is 14.</p></li>
<li><p><strong>cmap</strong> (<em>str</em>) – Color scheme of the heatmap. Default is ‘YlOrRd’.
Refer to the matplotlib documentation for other options.</p></li>
<li><p><strong>blank_color</strong> (<em>str</em>) – Color assigned for the missing elements in
elemental_data. Default is “grey”.</p></li>
<li><p><strong>edge_color</strong> (<em>str</em>) – Color assigned for the edge of elements in the
periodic table. Default is “white”.</p></li>
<li><p><strong>max_row</strong> (<em>int</em>) – Maximum number of rows of the periodic table to be
shown. Default is 9, which means the periodic table heat map covers
the standard 7 rows of the periodic table + 2 rows for the lanthanides
and actinides. Use a value of max_row = 7 to exclude the lanthanides and
actinides.</p></li>
<li><p><strong>readable_fontcolor</strong> (<em>bool</em>) – Whether to use readable font color depending
on background color. Default is False.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.pretty_plot">
<span class="sig-name descname"><span class="pre">pretty_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">width</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">height</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">plt</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">dpi</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">color_cycle</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">('qualitative',</span> <span class="pre">'Set1_9')</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../util/plotting.py#L15-L65"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.pretty_plot" title="Permalink to this definition"></a></dt>
<dd><p>Provides a publication quality plot, with nice defaults for font sizes etc.</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>width</strong> (<em>float</em>) – Width of plot in inches. Defaults to 8in.</p></li>
<li><p><strong>height</strong> (<em>float</em>) – Height of plot in inches. Defaults to width * golden
ratio.</p></li>
<li><p><strong>plt</strong> (<em>matplotlib.pyplot</em>) – If plt is supplied, changes will be made to an
existing plot. Otherwise, a new plot will be created.</p></li>
<li><p><strong>dpi</strong> (<em>int</em>) – Sets dot per inch for figure. Defaults to 300.</p></li>
<li><p><strong>color_cycle</strong> (<em>tuple</em>) – Set the color cycle for new plots to one of the
color sets in palettable. Defaults to a qualitative Set1_9.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>Matplotlib plot object with properly sized fonts.</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.pretty_plot_two_axis">
<span class="sig-name descname"><span class="pre">pretty_plot_two_axis</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">x</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">y1</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">y2</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">xlabel</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">y1label</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">y2label</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">width</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">8</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">height</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">dpi</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">300</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">plot_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/../util/plotting.py#L68-L147"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.pretty_plot_two_axis" title="Permalink to this definition"></a></dt>
<dd><p>Variant of pretty_plot that does a dual axis plot. Adapted from matplotlib
examples. Makes it easier to create plots with different axes.</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>x</strong> (<em>np.ndarray/list</em>) – Data for x-axis.</p></li>
<li><p><strong>y1</strong> (<em>dict/np.ndarray/list</em>) – Data for y1 axis (left). If a dict, it will
be interpreted as a {label: sequence}.</p></li>
<li><p><strong>y2</strong> (<em>dict/np.ndarray/list</em>) – Data for y2 axis (right). If a dict, it will
be interpreted as a {label: sequence}.</p></li>
<li><p><strong>xlabel</strong> (<em>str</em>) – If not None, this will be the label for the x-axis.</p></li>
<li><p><strong>y1label</strong> (<em>str</em>) – If not None, this will be the label for the y1-axis.</p></li>
<li><p><strong>y2label</strong> (<em>str</em>) – If not None, this will be the label for the y2-axis.</p></li>
<li><p><strong>width</strong> (<em>float</em>) – Width of plot in inches. Defaults to 8in.</p></li>
<li><p><strong>height</strong> (<em>float</em>) – Height of plot in inches. Defaults to width * golden
ratio.</p></li>
<li><p><strong>dpi</strong> (<em>int</em>) – Sets dot per inch for figure. Defaults to 300.</p></li>
<li><p><strong>plot_kwargs</strong> – Passthrough kwargs to matplotlib’s plot method. E.g.,
linewidth, etc.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib.pyplot</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.pretty_polyfit_plot">
<span class="sig-name descname"><span class="pre">pretty_polyfit_plot</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">x</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">y</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">deg</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">xlabel</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">ylabel</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><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/../util/plotting.py#L150-L173"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.pretty_polyfit_plot" title="Permalink to this definition"></a></dt>
<dd><p>Convenience method to plot data with trend lines based on polynomial fit.</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>x</strong> – Sequence of x data.</p></li>
<li><p><strong>y</strong> – Sequence of y data.</p></li>
<li><p><strong>deg</strong> (<em>int</em>) – Degree of polynomial. Defaults to 1.</p></li>
<li><p><strong>xlabel</strong> (<em>str</em>) – Label for x-axis.</p></li>
<li><p><strong>ylabel</strong> (<em>str</em>) – Label for y-axis.</p></li>
<li><p><strong>kwargs</strong> – Keyword args passed to pretty_plot.</p></li>
</ul>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>matplotlib.pyplot object.</p>
</dd>
</dl>
</dd></dl>
<dl class="py function">
<dt class="sig sig-object py" id="pymatgen.util.plotting.van_arkel_triangle">
<span class="sig-name descname"><span class="pre">van_arkel_triangle</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">list_of_materials</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">annotate</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/v2023.5.10/pymatgen/core/../util/plotting.py#L358-L487"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.util.plotting.van_arkel_triangle" title="Permalink to this definition"></a></dt>
<dd><dl>
<dt>A static method that generates a binary van Arkel-Ketelaar triangle to</dt><dd><p>quantify the ionic, metallic and covalent character of a compound
by plotting the electronegativity difference (y) vs average (x).
See:</p>
<blockquote>
<div><dl class="simple">
<dt>A.E. van Arkel, Molecules and Crystals in Inorganic Chemistry,</dt><dd><p>Interscience, New York (1956)</p>
</dd>
</dl>
</div></blockquote>
<dl class="simple">
<dt>and</dt><dd><dl class="simple">
<dt>J.A.A Ketelaar, Chemical Constitution (2nd edition), An Introduction</dt><dd><p>to the Theory of the Chemical Bond, Elsevier, New York (1958)</p>
</dd>
</dl>
</dd>
</dl>
</dd>
</dl>
<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>list_of_materials</strong> (<em>list</em>) – A list of computed entries of binary
materials or a list of lists containing two elements (str).</p></li>
<li><p><strong>annotate</strong> (<em>bool</em>) – Whether or not to label the points on the
triangle with reduced formula (if list of entries) or pair
of elements (if list of list of str).</p></li>
</ul>
</dd>
</dl>
</dd></dl>
</section>
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