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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:39:37.242355Z",
"structure_string": "Li1 Y1 Pb2\n1.0\n-5.820774 6.567442 9.288775\n5.820774 -6.567442 9.288775\n5.820774 6.567442 -9.288775\nLi Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.242425 0.242425 Pb\n0.000000 0.757575 0.757575 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Pb"
],
"chemical_system": "Li-Pb-Y",
"density": 0.5965323654417011,
"density_atomic": 0.002816206997712688,
"volume": 1420.3501387677766,
"volume_molar": 213.8387116036271,
"formula_full": "Li1 Y1 Pb2",
"formula_reduced": "LiYPb2",
"formula_anonymous": "ABC2",
"energy": -9.72195725,
"energy_per_atom": -2.4304893125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.72195725,
"band_gap": 0.0201000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.469000Z",
"spacegroup": 71
},
{
"id": "mp-1097321",
"created_at": "2022-09-04T14:39:33.867125Z",
"structure_string": "Mg1 Cu1 Pd2\n1.0\n-4.889026 5.503805 7.777955\n4.889026 -5.503805 7.777955\n4.889026 5.503805 -7.777955\nMg Cu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Cu\n0.000000 0.255456 0.255456 Pd\n0.000000 0.744544 0.744544 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Pd"
],
"chemical_system": "Cu-Mg-Pd",
"density": 0.5964289618201548,
"density_atomic": 0.004778033479768773,
"volume": 837.1644981009164,
"volume_molar": 126.03806117096178,
"formula_full": "Mg1 Cu1 Pd2",
"formula_reduced": "MgCuPd2",
"formula_anonymous": "ABC2",
"energy": -9.00922625,
"energy_per_atom": -2.2523065625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.00922625,
"band_gap": 0.2540000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.9999796,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.882000Z",
"spacegroup": 71
},
{
"id": "mp-1096096",
"created_at": "2022-09-04T14:45:55.661695Z",
"structure_string": "Mn2 Nb1 V1\n1.0\n-4.927610 5.150140 6.960071\n4.927610 -5.150140 6.960071\n4.927610 5.150140 -6.960071\nMn Nb V\n2 1 1\ndirect\n0.271858 0.000000 0.271858 Mn\n0.728142 0.000000 0.728142 Mn\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"V"
],
"chemical_system": "Mn-Nb-V",
"density": 0.5963230154830802,
"density_atomic": 0.005661492903343409,
"volume": 706.5274245310437,
"volume_molar": 106.37019003315557,
"formula_full": "Mn2 Nb1 V1",
"formula_reduced": "Mn2NbV",
"formula_anonymous": "ABC2",
"energy": -23.12793484,
"energy_per_atom": -5.78198371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.12793484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9832088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.312000Z",
"spacegroup": 71
}
]
}