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{
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{
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{
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{
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{
"id": "mp-1096019",
"created_at": "2022-09-04T14:48:17.813727Z",
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{
"id": "mp-30817",
"created_at": "2022-09-04T14:41:19.364783Z",
"structure_string": "Li1 Al2 Pd1\n1.0\n0.000000 3.054322 3.054322\n3.054322 0.000000 3.054322\n3.054322 3.054322 0.000000\nLi Al Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "Te8 Xe4 O8 F40\n1.0\n9.882849 0.000000 0.000000\n0.000000 10.717722 0.000000\n0.000000 3.176058 10.409142\nTe Xe O F\n8 4 8 40\ndirect\n0.785288 0.324576 0.660069 Te\n0.714712 0.324576 0.160069 Te\n0.285288 0.675424 0.839931 Te\n0.795788 0.830068 0.649723 Te\n0.204212 0.169932 0.350277 Te\n0.295788 0.169932 0.850277 Te\n0.704212 0.830068 0.149723 Te\n0.214712 0.675424 0.339931 Te\n0.000000 0.500000 0.000000 Xe\n0.500000 0.500000 0.500000 Xe\n0.000000 0.000000 0.000000 Xe\n0.500000 0.000000 0.500000 Xe\n0.343069 0.046608 0.351504 O\n0.156931 0.046608 0.851504 O\n0.118308 0.679352 0.926295 O\n0.618308 0.320648 0.573705 O\n0.881692 0.320648 0.073705 O\n0.843069 0.953392 0.148496 O\n0.381692 0.679352 0.426295 O\n0.656931 0.953392 0.648496 O\n0.763408 0.175734 0.293665 F\n0.949557 0.322710 0.747593 F\n0.783066 0.432523 0.255182 F\n0.283066 0.567477 0.244818 F\n0.254765 0.274110 0.185703 F\n0.585881 0.922059 0.227120 F\n0.152303 0.526023 0.465473 F\n0.236592 0.824266 0.706335 F\n0.745235 0.725890 0.814297 F\n0.736592 0.175734 0.793665 F\n0.550443 0.322710 0.247593 F\n0.065672 0.291525 0.342446 F\n0.050443 0.677290 0.252407 F\n0.684342 0.728875 0.574583 F\n0.245235 0.274110 0.685703 F\n0.634165 0.216267 0.073321 F\n0.914119 0.922059 0.727120 F\n0.754765 0.725890 0.314297 F\n0.216934 0.567477 0.744818 F\n0.859415 0.921482 0.485413 F\n0.449557 0.677290 0.752407 F\n0.414119 0.077941 0.772880 F\n0.315658 0.271125 0.425417 F\n0.847697 0.473977 0.534527 F\n0.640585 0.921482 0.985413 F\n0.565672 0.708475 0.157554 F\n0.359415 0.078518 0.014587 F\n0.134165 0.783733 0.426679 F\n0.434328 0.291525 0.842446 F\n0.263408 0.824266 0.206335 F\n0.716934 0.432523 0.755182 F\n0.184342 0.271125 0.925417 F\n0.347697 0.526023 0.965473 F\n0.652303 0.473977 0.034527 F\n0.365835 0.783733 0.926679 F\n0.865835 0.216267 0.573321 F\n0.085881 0.077941 0.272880 F\n0.815658 0.728875 0.074583 F\n0.140585 0.078518 0.514587 F\n0.934328 0.708475 0.657554 F\n",
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{
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{
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"density_atomic": 0.0315585516048043,
"volume": 253.49705842590458,
"volume_molar": 19.082437101084267,
"formula_full": "Lu2 Te6",
"formula_reduced": "LuTe3",
"formula_anonymous": "AB3",
"energy": -34.281327430000005,
"energy_per_atom": -4.285165928750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.74932743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0659085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.528000Z",
"spacegroup": 63
}
]
}