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{
"id": "mp-1223252",
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{
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{
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{
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{
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"id": "mp-1097315",
"created_at": "2022-09-04T14:41:34.982841Z",
"structure_string": "Zr2 Os1 Pd1\n1.0\n-4.873959 5.663280 7.888649\n4.873959 -5.663280 7.888649\n4.873959 5.663280 -7.888649\nZr Os Pd\n2 1 1\ndirect\n0.000000 0.262050 0.262050 Zr\n0.000000 0.737950 0.737950 Zr\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Os",
"Pd"
],
"chemical_system": "Os-Pd-Zr",
"density": 0.9133998277518555,
"density_atomic": 0.004592481984714881,
"volume": 870.9887188045955,
"volume_molar": 131.1304166253333,
"formula_full": "Zr2 Os1 Pd1",
"formula_reduced": "Zr2OsPd",
"formula_anonymous": "ABC2",
"energy": -21.62925333,
"energy_per_atom": -5.4073133325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.62925333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998336,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.760000Z",
"spacegroup": 71
},
{
"id": "mp-862546",
"created_at": "2022-09-04T14:41:34.978534Z",
"structure_string": "Sc2 Al1 Ru1\n1.0\n0.000000 3.297679 3.297679\n3.297679 0.000000 3.297679\n3.297679 3.297679 0.000000\nSc Al Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Sc",
"density": 5.046351122653668,
"density_atomic": 0.05577054131115978,
"volume": 71.72245249840516,
"volume_molar": 10.798067614945241,
"formula_full": "Sc2 Al1 Ru1",
"formula_reduced": "Sc2AlRu",
"formula_anonymous": "ABC2",
"energy": -27.80335789,
"energy_per_atom": -6.9508394725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.80335789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.388000Z",
"spacegroup": 225
}
]
}