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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-862842",
"created_at": "2022-09-04T14:47:20.141605Z",
"structure_string": "Li1 Pm2 Pt1\n1.0\n0.000000 3.620317 3.620317\n3.620317 0.000000 3.620317\n3.620317 3.620317 0.000000\nLi Pm Pt\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pm",
"Pt"
],
"chemical_system": "Li-Pm-Pt",
"density": 8.609272869575799,
"density_atomic": 0.04214928353620368,
"volume": 94.90078275148478,
"volume_molar": 14.287646799090536,
"formula_full": "Li1 Pm2 Pt1",
"formula_reduced": "LiPm2Pt",
"formula_anonymous": "ABC2",
"energy": -19.663836,
"energy_per_atom": -4.915959,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.663836,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.846000Z",
"spacegroup": 225
},
{
"id": "mp-1207822",
"created_at": "2022-09-04T14:47:22.511728Z",
"structure_string": "Y16 Mg4 Ir4\n1.0\n0.000000 6.891985 6.891985\n6.891985 0.000000 6.891985\n6.891985 6.891985 0.000000\nY Mg Ir\n16 4 4\ndirect\n0.597369 0.597369 0.597369 Y\n0.597369 0.597369 0.207893 Y\n0.597369 0.207893 0.597369 Y\n0.207893 0.597369 0.597369 Y\n0.062779 0.437221 0.437221 Y\n0.437221 0.062779 0.062779 Y\n0.437221 0.062779 0.437221 Y\n0.062779 0.437221 0.062779 Y\n0.437221 0.437221 0.062779 Y\n0.062779 0.062779 0.437221 Y\n0.186593 0.813407 0.813407 Y\n0.813407 0.186593 0.186593 Y\n0.813407 0.186593 0.813407 Y\n0.186593 0.813407 0.186593 Y\n0.813407 0.813407 0.186593 Y\n0.186593 0.186593 0.813407 Y\n0.829304 0.829304 0.829304 Mg\n0.829304 0.829304 0.512089 Mg\n0.829304 0.512089 0.829304 Mg\n0.512089 0.829304 0.829304 Mg\n0.391516 0.391516 0.391516 Ir\n0.391516 0.391516 0.825452 Ir\n0.391516 0.825452 0.391516 Ir\n0.825452 0.391516 0.391516 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Y",
"density": 5.804335842545832,
"density_atomic": 0.036656270389523786,
"volume": 654.7310936155442,
"volume_molar": 16.42867835708977,
"formula_full": "Y16 Mg4 Ir4",
"formula_reduced": "Y4MgIr",
"formula_anonymous": "ABC4",
"energy": -155.41781228,
"energy_per_atom": -6.475742178333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.41781228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3281867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.998000Z",
"spacegroup": 216
}
]
}