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{
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{
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{
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"id": "mp-1594",
"created_at": "2022-09-04T14:42:02.130436Z",
"structure_string": "Ni4 Ge2\n1.0\n2.004410 -3.471741 0.000000\n2.004410 3.471741 0.000000\n0.000000 0.000000 5.093227\nNi Ge\n4 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni",
"density": 8.903013680145172,
"density_atomic": 0.08464364224714847,
"volume": 70.88541845211218,
"volume_molar": 7.1146994625020135,
"formula_full": "Ni4 Ge2",
"formula_reduced": "Ni2Ge",
"formula_anonymous": "AB2",
"energy": -34.01517807,
"energy_per_atom": -5.669196345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.01517807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001969,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.115000Z",
"spacegroup": 194
},
{
"id": "mp-1025498",
"created_at": "2022-09-04T14:42:06.740591Z",
"structure_string": "Tb4 C2 Br2\n1.0\n1.850763 -3.205615 0.000000\n1.850763 3.205615 0.000000\n0.000000 0.000000 14.264442\nTb C Br\n4 2 2\ndirect\n0.333333 0.666667 0.590185 Tb\n0.666667 0.333333 0.409815 Tb\n0.666667 0.333333 0.090185 Tb\n0.333333 0.666667 0.909815 Tb\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.333333 0.666667 0.250000 Br\n0.666667 0.333333 0.750000 Br\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"C",
"Br"
],
"chemical_system": "Br-C-Tb",
"density": 8.040210593435104,
"density_atomic": 0.04726536691525639,
"volume": 169.257122542674,
"volume_molar": 12.741127707306898,
"formula_full": "Tb4 C2 Br2",
"formula_reduced": "Tb2CBr",
"formula_anonymous": "ABC2",
"energy": -49.12568805,
"energy_per_atom": -6.14071100625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.05768805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.197000Z",
"spacegroup": 194
}
]
}