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{
"id": "mp-1022526",
"created_at": "2022-09-04T14:47:00.089033Z",
"structure_string": "K2 Mg12 Co2\n1.0\n4.558556 0.000000 0.000000\n0.000000 6.114684 0.000000\n0.000000 0.000000 14.483179\nK Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.213765 K\n0.500000 0.000000 0.713765 K\n0.000000 0.751362 0.043899 Mg\n0.000000 0.248638 0.043899 Mg\n0.000000 0.000000 0.320299 Mg\n0.500000 0.262459 0.417571 Mg\n0.500000 0.737541 0.417571 Mg\n0.500000 0.000000 0.144691 Mg\n0.000000 0.251362 0.543899 Mg\n0.000000 0.748638 0.543899 Mg\n0.000000 0.500000 0.820299 Mg\n0.500000 0.762459 0.917571 Mg\n0.500000 0.237541 0.917571 Mg\n0.500000 0.500000 0.644691 Mg\n0.000000 0.500000 0.398305 Co\n0.000000 0.000000 0.898305 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Co"
],
"chemical_system": "Co-K-Mg",
"density": 2.0061209552157586,
"density_atomic": 0.03963280149027197,
"volume": 403.7060060951599,
"volume_molar": 15.194839964765444,
"formula_full": "K2 Mg12 Co2",
"formula_reduced": "KMg6Co",
"formula_anonymous": "ABC6",
"energy": -30.61080955,
"energy_per_atom": -1.913175596875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.61080955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.839000Z",
"spacegroup": 38
},
{
"id": "mp-28755",
"created_at": "2022-09-04T14:47:00.091530Z",
"structure_string": "Gd2 C2 Br2\n1.0\n1.934590 3.556101 0.000000\n-1.934590 3.556101 0.000000\n0.000000 1.813377 10.162306\nGd C Br\n2 2 2\ndirect\n0.589604 0.589604 0.145559 Gd\n0.410396 0.410396 0.854441 Gd\n0.912349 0.912349 0.035794 C\n0.087651 0.087651 0.964206 C\n0.199936 0.199936 0.331905 Br\n0.800064 0.800064 0.668095 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Gd",
"C",
"Br"
],
"chemical_system": "Br-C-Gd",
"density": 5.918073002556331,
"density_atomic": 0.04291073574426831,
"volume": 139.8251485539125,
"volume_molar": 14.03411210632619,
"formula_full": "Gd2 C2 Br2",
"formula_reduced": "GdCBr",
"formula_anonymous": "ABC",
"energy": -57.50552041,
"energy_per_atom": -9.584253401666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.43752040999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8100038,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.268000Z",
"spacegroup": 12
}
]
}