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{
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{
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{
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{
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{
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{
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{
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"id": "mp-22032",
"created_at": "2022-09-04T14:47:28.931232Z",
"structure_string": "Tb3 In3 Ir3\n1.0\n3.764044 -6.519516 0.000000\n3.764044 6.519516 0.000000\n0.000000 0.000000 3.989684\nTb In Ir\n3 3 3\ndirect\n0.406402 0.406402 0.000000 Tb\n0.593598 0.000000 0.000000 Tb\n0.000000 0.593598 0.000000 Tb\n0.000000 0.256318 0.500000 In\n0.743682 0.743682 0.500000 In\n0.256318 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 Ir\n0.666667 0.333333 0.500000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"In",
"Ir"
],
"chemical_system": "In-Ir-Tb",
"density": 11.854432641053405,
"density_atomic": 0.04596253437810708,
"volume": 195.81165664108568,
"volume_molar": 13.102281763793407,
"formula_full": "Tb3 In3 Ir3",
"formula_reduced": "TbInIr",
"formula_anonymous": "ABC",
"energy": -54.99105015,
"energy_per_atom": -6.110116683333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.99105015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018693,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.806000Z",
"spacegroup": 189
},
{
"id": "mp-672191",
"created_at": "2022-09-04T14:47:28.933663Z",
"structure_string": "Ce1 In1 Ag2\n1.0\n0.000000 3.571315 3.571315\n3.571315 0.000000 3.571315\n3.571315 3.571315 0.000000\nCe In Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"In",
"Ag"
],
"chemical_system": "Ag-Ce-In",
"density": 8.57929329408748,
"density_atomic": 0.04390818870799901,
"volume": 91.09918030554735,
"volume_molar": 13.715302173015647,
"formula_full": "Ce1 In1 Ag2",
"formula_reduced": "CeInAg2",
"formula_anonymous": "ABC2",
"energy": -15.45051974,
"energy_per_atom": -3.862629935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.45051974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8614497,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.823000Z",
"spacegroup": 225
}
]
}