Structure

{
  "@module": "pymatgen.core.structure",
  "@class": "Structure",
  "charge": 0,
  "lattice": {
    "matrix": [
      [
        5.3485,
        0,
        3.275011702619809e-16
      ],
      [
        -3.275011702619809e-16,
        5.3485,
        3.275011702619809e-16
      ],
      [
        0,
        0,
        5.3485
      ]
    ],
    "pbc": [
      true,
      true,
      true
    ],
    "a": 5.3485,
    "b": 5.3485,
    "c": 5.3485,
    "alpha": 90,
    "beta": 90,
    "gamma": 90,
    "volume": 153.00160985912498
  },
  "properties": {},
  "sites": [
    {
      "species": [
        {
          "element": "Bi",
          "oxidation_state": 3,
          "spin": null,
          "occu": 0.5
        },
        {
          "element": "Zr",
          "oxidation_state": 4,
          "spin": null,
          "occu": 0.5
        }
      ],
      "abc": [
        0,
        0,
        0
      ],
      "xyz": [
        0,
        0,
        0
      ],
      "properties": {},
      "label": "Zr"
    },
    {
      "species": [
        {
          "element": "Bi",
          "oxidation_state": 3,
          "spin": null,
          "occu": 0.5
        },
        {
          "element": "Zr",
          "oxidation_state": 4,
          "spin": null,
          "occu": 0.5
        }
      ],
      "abc": [
        0.5,
        0.5,
        0
      ],
      "xyz": [
        2.67425,
        2.67425,
        3.275011702619809e-16
      ],
      "properties": {},
      "label": "Zr"
    },
    {
      "species": [
        {
          "element": "Bi",
          "oxidation_state": 3,
          "spin": null,
          "occu": 0.5
        },
        {
          "element": "Zr",
          "oxidation_state": 4,
          "spin": null,
          "occu": 0.5
        }
      ],
      "abc": [
        0.5,
        0,
        0.5
      ],
      "xyz": [
        2.67425,
        0,
        2.67425
      ],
      "properties": {},
      "label": "Zr"
    },
    {
      "species": [
        {
          "element": "Bi",
          "oxidation_state": 3,
          "spin": null,
          "occu": 0.5
        },
        {
          "element": "Zr",
          "oxidation_state": 4,
          "spin": null,
          "occu": 0.5
        }
      ],
      "abc": [
        0,
        0.5,
        0.5
      ],
      "xyz": [
        -1.6375058513099044e-16,
        2.67425,
        2.67425
      ],
      "properties": {},
      "label": "Zr"
    },
    {
      "species": [
        {
          "element": "O",
          "oxidation_state": -2,
          "spin": null,
          "occu": 1
        }
      ],
      "abc": [
        0.25,
        0.25,
        0.25
      ],
      "xyz": [
        1.337125,
        1.337125,
        1.3371250000000001
      ],
      "properties": {},
      "label": "O"
    },
    {
      "species": [
        {
          "element": "O",
          "oxidation_state": -2,
          "spin": null,
          "occu": 1
        }
      ],
      "abc": [
        0.75,
        0.75,
        0.25
      ],
      "xyz": [
        4.011374999999999,
        4.011374999999999,
        1.3371250000000003
      ],
      "properties": {},
      "label": "O"
    },
    {
      "species": [
        {
          "element": "O",
          "oxidation_state": -2,
          "spin": null,
          "occu": 1
        }
      ],
      "abc": [
        0.75,
        0.75,
        0.75
      ],
      "xyz": [
        4.011374999999999,
        4.011374999999999,
        4.011375
      ],
      "properties": {},
      "label": "O"
    },
    {
      "species": [
        {
          "element": "O",
          "oxidation_state": -2,
          "spin": null,
          "occu": 1
        }
      ],
      "abc": [
        0.75,
        0.25,
        0.75
      ],
      "xyz": [
        4.011374999999999,
        1.337125,
        4.011375
      ],
      "properties": {},
      "label": "O"
    },
    {
      "species": [
        {
          "element": "O",
          "oxidation_state": -2,
          "spin": null,
          "occu": 1
        }
      ],
      "abc": [
        0.75,
        0.25,
        0.25
      ],
      "xyz": [
        4.011374999999999,
        1.337125,
        1.3371250000000001
      ],
      "properties": {},
      "label": "O"
    },
    {
      "species": [
        {
          "element": "O",
          "oxidation_state": -2,
          "spin": null,
          "occu": 1
        }
      ],
      "abc": [
        0.25,
        0.75,
        0.75
      ],
      "xyz": [
        1.3371249999999997,
        4.011374999999999,
        4.011375
      ],
      "properties": {},
      "label": "O"
    },
    {
      "species": [
        {
          "element": "O",
          "oxidation_state": -2,
          "spin": null,
          "occu": 1
        }
      ],
      "abc": [
        0.25,
        0.75,
        0.25
      ],
      "xyz": [
        1.3371249999999997,
        4.011374999999999,
        1.3371250000000001
      ],
      "properties": {},
      "label": "O"
    },
    {
      "species": [
        {
          "element": "O",
          "oxidation_state": -2,
          "spin": null,
          "occu": 1
        }
      ],
      "abc": [
        0.25,
        0.25,
        0.75
      ],
      "xyz": [
        1.337125,
        1.337125,
        4.011375
      ],
      "properties": {},
      "label": "O"
    }
  ],
  "id": "Bi2Zr2O7-Fm3m"
}

Bi2Zr2O7-Fm3m

canvas width=0, height=0

<script>
  import { Structure, StructureCard } from '$lib'
  import { structures } from '$site/structures'
  import Select from 'svelte-multiselect'

  let formula = $state(`Bi2Zr2O7-Fm3m`)
  let width = $state(0)
  let height = $state(0)
  let structure = $derived(structures.find((struct) => struct.id === formula) || {})
</script>

<form>
  <label for="select">Select a structure:</label>
  <Select
    id="select"
    options={structures.map((struct) => struct.id)}
    selected={[formula]}
    bind:value={formula}
    maxSelect={1}
    minSelect={1}
  />

  <details>
    <summary>JSON for structure {formula}</summary>
    <pre>
    <code>
    {JSON.stringify(structure, null, 2)}
    </code>
  </pre>
  </details>
</form>

<h3 align="center">{formula}</h3>
<StructureCard {structure} />
<p>
  canvas width=<span>{width}</span>, height=<span>{height}</span>
</p>
<Structure {structure} bind:width bind:height />

• mp-10018

  Crystal System cubic

  Show atoms bonds image atoms site labels full controls

  ---

  Atoms

  Radius (Å) Scale according to atomic radii (if false, all atoms same size) Color scheme

  • Vesta

  ---

  Cell

  lattice vectors

  Edge color opacity

  Surface color opacity

  ---

  Background

  Color Opacity

  ---

  ⬇ Save as JSON 📄 Save as XYZ ✎ Save as PNG DPI:

  Ac1

  Actinium

  Drop a POSCAR, XYZ, CIF or pymatgen JSON file onto the canvas to load a new structure.

  Click on an atom to make it active. Then hover another atom to get its distance to the active atom (with PBC and direct).

  Hold shift or cmd or ctrl and drag to pan the scene.

  Click on an element label in the color legend to change its color. Double click to reset.

• mp-1183085

  Crystal System orthorhombic

  Show atoms bonds image atoms site labels full controls

  ---

  Atoms

  Radius (Å) Scale according to atomic radii (if false, all atoms same size) Color scheme

  • Vesta

  ---

  Cell

  lattice vectors

  Edge color opacity

  Surface color opacity

  ---

  Background

  Color Opacity

  ---

  ⬇ Save as JSON 📄 Save as XYZ ✎ Save as PNG DPI:

  Ac4

  Actinium

  Mg2

  Magnesium

  Drop a POSCAR, XYZ, CIF or pymatgen JSON file onto the canvas to load a new structure.

  Click on an atom to make it active. Then hover another atom to get its distance to the active atom (with PBC and direct).

  Hold shift or cmd or ctrl and drag to pan the scene.

  Click on an element label in the color legend to change its color. Double click to reset.

• mp-1183089

  Crystal System monoclinic

  Show atoms bonds image atoms site labels full controls

  ---

  Atoms

  Radius (Å) Scale according to atomic radii (if false, all atoms same size) Color scheme

  • Vesta

  ---

  Cell

  lattice vectors

  Edge color opacity

  Surface color opacity

  ---

  Background

  Color Opacity

  ---

  ⬇ Save as JSON 📄 Save as XYZ ✎ Save as PNG DPI:

  Ac4

  Actinium

  Mg2

  Magnesium

  Drop a POSCAR, XYZ, CIF or pymatgen JSON file onto the canvas to load a new structure.

  Click on an atom to make it active. Then hover another atom to get its distance to the active atom (with PBC and direct).

  Hold shift or cmd or ctrl and drag to pan the scene.

  Click on an element label in the color legend to change its color. Double click to reset.

• mp-1207297

  Crystal System tetragonal

  Show atoms bonds image atoms site labels full controls

  ---

  Atoms

  Radius (Å) Scale according to atomic radii (if false, all atoms same size) Color scheme

  • Vesta

  ---

  Cell

  lattice vectors

  Edge color opacity

  Surface color opacity

  ---

  Background

  Color Opacity

  ---

  ⬇ Save as JSON 📄 Save as XYZ ✎ Save as PNG DPI:

  Ac2

  Actinium

  Br2

  Bromine

  O1

  Oxygen

  Drop a POSCAR, XYZ, CIF or pymatgen JSON file onto the canvas to load a new structure.

  Click on an atom to make it active. Then hover another atom to get its distance to the active atom (with PBC and direct).

  Hold shift or cmd or ctrl and drag to pan the scene.

  Click on an element label in the color legend to change its color. Double click to reset.

• mp-686119

  Crystal System triclinic

  Show atoms bonds image atoms site labels full controls

  ---

  Atoms

  Radius (Å) Scale according to atomic radii (if false, all atoms same size) Color scheme

  • Vesta

  ---

  Cell

  lattice vectors

  Edge color opacity

  Surface color opacity

  ---

  Background

  Color Opacity

  ---

  ⬇ Save as JSON 📄 Save as XYZ ✎ Save as PNG DPI:

  Ag13

  Silver

  Bi14

  Bismuth

  I56

  Iodine

  Drop a POSCAR, XYZ, CIF or pymatgen JSON file onto the canvas to load a new structure.

  Click on an atom to make it active. Then hover another atom to get its distance to the active atom (with PBC and direct).

  Hold shift or cmd or ctrl and drag to pan the scene.

  Click on an element label in the color legend to change its color. Double click to reset.

• mp-862690

  Crystal System hexagonal

  Show atoms bonds image atoms site labels full controls

  ---

  Atoms

  Radius (Å) Scale according to atomic radii (if false, all atoms same size) Color scheme

  • Vesta

  ---

  Cell

  lattice vectors

  Edge color opacity

  Surface color opacity

  ---

  Background

  Color Opacity

  ---

  ⬇ Save as JSON 📄 Save as XYZ ✎ Save as PNG DPI:

  Ac4

  Actinium

  Drop a POSCAR, XYZ, CIF or pymatgen JSON file onto the canvas to load a new structure.

  Click on an atom to make it active. Then hover another atom to get its distance to the active atom (with PBC and direct).

  Hold shift or cmd or ctrl and drag to pan the scene.

  Click on an element label in the color legend to change its color. Double click to reset.

<script>
  import { crystal_systems, Structure } from '$lib'
  import { structures } from '$site/structures'
</script>

<ul class="crystal-systems">
  {#each structures.filter((struct) =>
      crystal_systems.some((system) => struct.id.includes(system))
    ) as
    structure
  }
    {@const mp_id = structure.id.split(`-`).slice(0, 2).join(`-`)}
    {@const href = `https://materialsproject.org/materials/${mp_id}`}
    {@const crystal_system = structure.id.split(`-`).at(-1) || 'unknown'}
    <li>
      <h3><a {href}>{mp_id}</a></h3>
      <p class="crystal-system">Crystal System <strong>{crystal_system}</strong></p>
      <Structure {structure} />
    </li>
  {/each}
</ul>