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{
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{
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{
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{
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"formula_full": "Li8 Cu8 F28",
"formula_reduced": "Li2Cu2F7",
"formula_anonymous": "A2B2C7",
"energy": -200.92090007000004,
"energy_per_atom": -4.566384092500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.98490007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.488000Z",
"spacegroup": 4
},
{
"id": "mp-675554",
"created_at": "2022-09-04T14:45:13.934788Z",
"structure_string": "Nd4 Sm12 Sb12\n1.0\n9.431622 0.000000 0.000000\n0.000000 9.431622 0.000000\n0.000000 0.000000 9.431622\nNd Sm Sb\n4 12 12\ndirect\n0.071063 0.571063 0.928937 Nd\n0.928937 0.071063 0.571063 Nd\n0.428937 0.428937 0.428937 Nd\n0.571063 0.928937 0.071063 Nd\n0.820603 0.320603 0.179397 Sm\n0.928573 0.928573 0.928573 Sm\n0.820855 0.679145 0.320855 Sm\n0.179397 0.820603 0.320603 Sm\n0.179145 0.179145 0.179145 Sm\n0.320855 0.820855 0.679145 Sm\n0.071427 0.428573 0.571427 Sm\n0.320603 0.179397 0.820603 Sm\n0.679145 0.320855 0.820855 Sm\n0.679397 0.679397 0.679397 Sm\n0.571427 0.071427 0.428573 Sm\n0.428573 0.571427 0.071427 Sm\n0.748823 0.623935 0.000212 Sb\n0.876065 0.999788 0.248823 Sb\n0.000212 0.748823 0.623935 Sb\n0.123935 0.499788 0.251177 Sb\n0.251177 0.123935 0.499788 Sb\n0.248823 0.876065 0.999788 Sb\n0.999788 0.248823 0.876065 Sb\n0.376065 0.500212 0.751177 Sb\n0.499788 0.251177 0.123935 Sb\n0.623935 0.000212 0.748823 Sb\n0.751177 0.376065 0.500212 Sb\n0.500212 0.751177 0.376065 Sb\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nd",
"Sm",
"Sb"
],
"chemical_system": "Nd-Sb-Sm",
"density": 7.60489837467431,
"density_atomic": 0.033373278366615355,
"volume": 838.9945899953759,
"volume_molar": 18.044798277966578,
"formula_full": "Nd4 Sm12 Sb12",
"formula_reduced": "Nd(SmSb)3",
"formula_anonymous": "AB3C3",
"energy": -156.88852208,
"energy_per_atom": -5.603161502857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.58452208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1759278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.405000Z",
"spacegroup": 198
}
]
}