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"energy": -222.55991356,
"energy_per_atom": -7.418663785333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.64391356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0013701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.570000Z",
"spacegroup": 1
},
{
"id": "mp-1190979",
"created_at": "2022-09-04T14:39:12.506119Z",
"structure_string": "Sc16 Ir8\n1.0\n0.000000 6.167434 6.167434\n6.167434 0.000000 6.167434\n6.167434 6.167434 0.000000\nSc Ir\n16 8\ndirect\n0.125000 0.625000 0.625000 Sc\n0.625000 0.125000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.625000 0.625000 0.625000 Sc\n0.811569 0.811569 0.188431 Sc\n0.188431 0.188431 0.811569 Sc\n0.811569 0.188431 0.811569 Sc\n0.188431 0.811569 0.188431 Sc\n0.188431 0.811569 0.811569 Sc\n0.811569 0.188431 0.188431 Sc\n0.438431 0.438431 0.061569 Sc\n0.061569 0.061569 0.438431 Sc\n0.438431 0.061569 0.438431 Sc\n0.061569 0.438431 0.061569 Sc\n0.061569 0.438431 0.438431 Sc\n0.438431 0.061569 0.061569 Sc\n0.771746 0.409418 0.409418 Ir\n0.409418 0.771746 0.409418 Ir\n0.409418 0.409418 0.771746 Ir\n0.409418 0.409418 0.409418 Ir\n0.478254 0.840582 0.840582 Ir\n0.840582 0.478254 0.840582 Ir\n0.840582 0.840582 0.478254 Ir\n0.840582 0.840582 0.840582 Ir\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sc",
"Ir"
],
"chemical_system": "Ir-Sc",
"density": 7.988091216555278,
"density_atomic": 0.05115260012543745,
"volume": 469.18436093466823,
"volume_molar": 11.772892766413404,
"formula_full": "Sc16 Ir8",
"formula_reduced": "Sc2Ir",
"formula_anonymous": "AB2",
"energy": -190.37377399,
"energy_per_atom": -7.932240582916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.37377399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7179206,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.208000Z",
"spacegroup": 227
},
{
"id": "mp-1217935",
"created_at": "2022-09-04T14:39:12.513804Z",
"structure_string": "Ta2 Fe8 W2\n1.0\n-2.375403 -4.112510 -0.000813\n-2.375403 4.112510 0.000813\n0.000000 -0.001528 -7.830280\nTa Fe W\n2 8 2\ndirect\n0.666621 0.333379 0.571918 Ta\n0.333379 0.666621 0.428082 Ta\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.170027 0.340019 0.751971 Fe\n0.169950 0.830050 0.751850 Fe\n0.659981 0.829973 0.751971 Fe\n0.829973 0.659981 0.248029 Fe\n0.830050 0.169950 0.248150 Fe\n0.340019 0.170027 0.248029 Fe\n0.333226 0.666774 0.059436 W\n0.666774 0.333226 0.940564 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"W"
],
"chemical_system": "Fe-Ta-W",
"density": 12.768175938211428,
"density_atomic": 0.078438577205127,
"volume": 152.98594680801583,
"volume_molar": 7.677524216497867,
"formula_full": "Ta2 Fe8 W2",
"formula_reduced": "TaFe4W",
"formula_anonymous": "ABC4",
"energy": -118.71878446,
"energy_per_atom": -9.893232038333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.71878446,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3520637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.551000Z",
"spacegroup": 164
}
]
}