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{
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{
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{
"id": "mp-1215533",
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{
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"created_at": "2022-09-04T14:40:08.974996Z",
"structure_string": "Y2 Mg12 Cu2\n1.0\n4.954655 0.000000 0.000000\n0.000000 6.058748 0.000000\n0.000000 0.000000 12.047795\nY Mg Cu\n2 12 2\ndirect\n0.500000 0.000000 0.188472 Y\n0.500000 0.500000 0.688472 Y\n0.500000 0.249228 0.434627 Mg\n0.500000 0.750772 0.434627 Mg\n0.000000 0.745675 0.079758 Mg\n0.000000 0.254325 0.079758 Mg\n0.000000 0.000000 0.346235 Mg\n0.000000 0.500000 0.303000 Mg\n0.500000 0.749228 0.934627 Mg\n0.500000 0.250772 0.934627 Mg\n0.000000 0.245675 0.579758 Mg\n0.000000 0.754325 0.579758 Mg\n0.000000 0.500000 0.846235 Mg\n0.000000 0.000000 0.803000 Mg\n0.500000 0.500000 0.133520 Cu\n0.500000 0.000000 0.633520 Cu\n",
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{
"id": "mp-1217462",
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"structure_string": "Th2 Sc4 B24 Rh24\n1.0\n5.331325 0.000000 0.000000\n0.000000 5.331325 0.000000\n0.000000 0.000000 22.338028\nTh Sc B Rh\n2 4 24 24\ndirect\n0.000000 0.000000 0.332754 Th\n0.000000 0.000000 0.667246 Th\n0.500000 0.500000 0.833568 Sc\n0.500000 0.500000 0.166432 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.329934 0.000000 0.884432 B\n0.331069 0.000000 0.213614 B\n0.330528 0.000000 0.549180 B\n0.670066 0.000000 0.884432 B\n0.668931 0.000000 0.213614 B\n0.669472 0.000000 0.549180 B\n0.500000 0.830568 0.048705 B\n0.500000 0.833477 0.383182 B\n0.500000 0.833267 0.717323 B\n0.500000 0.169432 0.048705 B\n0.500000 0.166523 0.383182 B\n0.500000 0.166733 0.717323 B\n0.169432 0.500000 0.951295 B\n0.166733 0.500000 0.282677 B\n0.166523 0.500000 0.616818 B\n0.830568 0.500000 0.951295 B\n0.833267 0.500000 0.282677 B\n0.833477 0.500000 0.616818 B\n0.000000 0.668931 0.786386 B\n0.000000 0.670066 0.115568 B\n0.000000 0.669472 0.450820 B\n0.000000 0.331069 0.786386 B\n0.000000 0.329934 0.115568 B\n0.000000 0.330528 0.450820 B\n0.748781 0.000000 0.787387 Rh\n0.751091 0.000000 0.116336 Rh\n0.748177 0.000000 0.452798 Rh\n0.251219 0.000000 0.787387 Rh\n0.248909 0.000000 0.116336 Rh\n0.251823 0.000000 0.452798 Rh\n0.500000 0.251563 0.951007 Rh\n0.500000 0.251723 0.281338 Rh\n0.500000 0.251652 0.615924 Rh\n0.500000 0.748437 0.951007 Rh\n0.500000 0.748277 0.281338 Rh\n0.500000 0.748348 0.615924 Rh\n0.748437 0.500000 0.048993 Rh\n0.748348 0.500000 0.384076 Rh\n0.748277 0.500000 0.718662 Rh\n0.251563 0.500000 0.048993 Rh\n0.251652 0.500000 0.384076 Rh\n0.251723 0.500000 0.718662 Rh\n0.000000 0.248909 0.883664 Rh\n0.000000 0.251219 0.212613 Rh\n0.000000 0.251823 0.547202 Rh\n0.000000 0.751091 0.883664 Rh\n0.000000 0.748781 0.212613 Rh\n0.000000 0.748177 0.547202 Rh\n",
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{
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{
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"nelements": 2,
"elements": [
"Er",
"Pt"
],
"chemical_system": "Er-Pt",
"density": 13.817314503716583,
"density_atomic": 0.045928754188890836,
"volume": 174.18282166109844,
"volume_molar": 13.1119183752139,
"formula_full": "Er4 Pt4",
"formula_reduced": "ErPt",
"formula_anonymous": "AB",
"energy": -53.02786537,
"energy_per_atom": -6.62848317125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.02786537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021986,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.549000Z",
"spacegroup": 62
},
{
"id": "mp-1212102",
"created_at": "2022-09-04T14:40:07.395048Z",
"structure_string": "Ho4 Ge8 Pd4\n1.0\n-4.338781 0.000000 0.000000\n0.000000 -8.825726 0.000000\n2.169391 4.412863 8.171813\nHo Ge Pd\n4 8 4\ndirect\n0.202949 0.202949 0.405899 Ho\n0.797051 0.797051 0.594101 Ho\n0.000000 0.761756 0.000000 Ho\n0.000000 0.238244 0.000000 Ho\n0.574347 0.074347 0.148695 Ge\n0.425653 0.925653 0.851305 Ge\n0.198195 0.848916 0.396391 Ge\n0.801805 0.151084 0.603609 Ge\n0.198195 0.547475 0.396391 Ge\n0.801805 0.452525 0.603609 Ge\n0.425607 0.425607 0.851214 Ge\n0.574393 0.574393 0.148786 Ge\n0.353001 0.102611 0.706002 Pd\n0.646999 0.897389 0.293998 Pd\n0.353001 0.603391 0.706002 Pd\n0.646999 0.396609 0.293998 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Pd"
],
"chemical_system": "Ge-Ho-Pd",
"density": 8.84348352574198,
"density_atomic": 0.051130894764609226,
"volume": 312.9223549413527,
"volume_molar": 11.777890427546922,
"formula_full": "Ho4 Ge8 Pd4",
"formula_reduced": "HoGe2Pd",
"formula_anonymous": "ABC2",
"energy": -87.99844775,
"energy_per_atom": -5.499902984375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.99844775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.419000Z",
"spacegroup": 71
}
]
}