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{
"id": "mp-571020",
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{
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{
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{
"id": "mp-998599",
"created_at": "2022-09-04T14:47:43.596019Z",
"structure_string": "K2 Ca2 Br6\n1.0\n2.154679 -7.212305 0.000000\n2.154679 7.212305 0.000000\n0.000000 0.000000 10.856991\nK Ca Br\n2 2 6\ndirect\n0.743867 0.256133 0.750000 K\n0.256133 0.743867 0.250000 K\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.631793 0.368207 0.444645 Br\n0.368207 0.631793 0.944645 Br\n0.631793 0.368207 0.055355 Br\n0.368207 0.631793 0.555355 Br\n0.070737 0.929263 0.750000 Br\n0.929263 0.070737 0.250000 Br\n",
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{
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{
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{
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{
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"id": "mp-771055",
"created_at": "2022-09-04T14:47:43.176007Z",
"structure_string": "Eu1 Zr1 O3\n1.0\n4.197333 0.000000 0.000000\n0.000000 4.197333 0.000000\n0.000000 0.000000 4.197333\nEu Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Zr",
"O"
],
"chemical_system": "Eu-O-Zr",
"density": 6.538823412138973,
"density_atomic": 0.06761603916375927,
"volume": 73.94695196343135,
"volume_molar": 8.906379069934838,
"formula_full": "Eu1 Zr1 O3",
"formula_reduced": "EuZrO3",
"formula_anonymous": "ABC3",
"energy": -51.41405406,
"energy_per_atom": -10.282810812,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.35305405999999,
"band_gap": 0.3877000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0004074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.850000Z",
"spacegroup": 221
}
]
}