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<section id="module-pymatgen.symmetry.structure">
<span id="pymatgen-symmetry-structure-module"></span><h1>pymatgen.symmetry.structure module<a class="headerlink" href="#module-pymatgen.symmetry.structure" title="Permalink to this heading"></a></h1>
<p>This module implements symmetry-related structure forms.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.symmetry.structure.SymmetrizedStructure">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">SymmetrizedStructure</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">spacegroup</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.symmetry.analyzer.html#pymatgen.symmetry.analyzer.SpacegroupOperations" title="pymatgen.symmetry.analyzer.SpacegroupOperations"><span class="pre">SpacegroupOperations</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">equivalent_positions</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">int</span><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">wyckoff_letters</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">str</span><span class="p"><span class="pre">]</span></span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/structure.py#L18-L153"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.structure.SymmetrizedStructure" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><code class="xref py py-class docutils literal notranslate"><span class="pre">Structure</span></code></a></p>
<p>This class represents a symmetrized structure, i.e. a structure
where the spacegroup and symmetry operations are defined. This class is
typically not called but instead is typically obtained by calling
pymatgen.symmetry.analyzer.SpacegroupAnalyzer.get_symmetrized_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>structure</strong> (<a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><em>Structure</em></a>) – Original structure</p></li>
<li><p><strong>spacegroup</strong> (<a class="reference internal" href="pymatgen.symmetry.analyzer.html#pymatgen.symmetry.analyzer.SpacegroupOperations" title="pymatgen.symmetry.analyzer.SpacegroupOperations"><em>SpacegroupOperations</em></a>) – An input SpacegroupOperations from SpacegroupAnalyzer.</p></li>
<li><p><strong>equivalent_positions</strong> (<em>list</em><em>[</em><em>int</em><em>]</em>) – Equivalent positions from SpacegroupAnalyzer.</p></li>
<li><p><strong>wyckoff_letters</strong> (<em>list</em><em>[</em><em>str</em><em>]</em>) – Wyckoff letters</p></li>
</ul>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.structure.SymmetrizedStructure.as_dict">
<span class="sig-name descname"><span class="pre">as_dict</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/structure.py#L130-L140"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.structure.SymmetrizedStructure.as_dict" title="Permalink to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>MSONable dict</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.structure.SymmetrizedStructure.copy">
<span class="sig-name descname"><span class="pre">copy</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/structure.py#L67-L76"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.structure.SymmetrizedStructure.copy" title="Permalink to this definition"></a></dt>
<dd><dl class="field-list simple">
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>Copy of structure.</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.structure.SymmetrizedStructure.find_equivalent_sites">
<span class="sig-name descname"><span class="pre">find_equivalent_sites</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">site</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.sites.html#pymatgen.core.sites.PeriodicSite" title="pymatgen.core.sites.PeriodicSite"><span class="pre">PeriodicSite</span></a></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">list</span><span class="p"><span class="pre">[</span></span><a class="reference internal" href="pymatgen.core.sites.html#pymatgen.core.sites.PeriodicSite" title="pymatgen.core.sites.PeriodicSite"><span class="pre">pymatgen.core.sites.PeriodicSite</span></a><span class="p"><span class="pre">]</span></span></span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/structure.py#L78-L95"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.structure.SymmetrizedStructure.find_equivalent_sites" title="Permalink to this definition"></a></dt>
<dd><p>Finds all symmetrically equivalent sites for a particular site</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><p><strong>site</strong> (<a class="reference internal" href="pymatgen.core.sites.html#pymatgen.core.sites.PeriodicSite" title="pymatgen.core.sites.PeriodicSite"><em>PeriodicSite</em></a>) – A site in the structure</p>
</dd>
<dt class="field-even">Raises<span class="colon">:</span></dt>
<dd class="field-even"><p><strong>ValueError</strong> – if site is not in the structure.</p>
</dd>
<dt class="field-odd">Returns<span class="colon">:</span></dt>
<dd class="field-odd"><p>List of all symmetrically equivalent sites.</p>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p>([<a class="reference internal" href="pymatgen.core.sites.html#pymatgen.core.sites.PeriodicSite" title="pymatgen.core.sites.PeriodicSite">PeriodicSite</a>])</p>
</dd>
</dl>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.structure.SymmetrizedStructure.from_dict">
<em class="property"><span class="pre">classmethod</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">from_dict</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">dct</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/structure.py#L142-L153"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.structure.SymmetrizedStructure.from_dict" 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"><p><strong>d</strong> – Dict representation</p>
</dd>
<dt class="field-even">Returns<span class="colon">:</span></dt>
<dd class="field-even"><p>SymmetrizedStructure</p>
</dd>
</dl>
</dd></dl>
</dd></dl>
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