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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:42:12.717984Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n9.779887 0.000000 0.000000\n4.869495 8.482622 0.000000\n0.085569 0.058933 14.150118\nLi V P O\n6 6 16 58\ndirect\n0.093870 0.682279 0.057366 Li\n0.310183 0.911590 0.443455 Li\n0.692881 0.082089 0.558384 Li\n0.773859 0.915145 0.942074 Li\n0.772582 0.319792 0.441506 Li\n0.914790 0.309713 0.941867 Li\n0.001936 0.432675 0.743015 V\n0.431165 0.569266 0.753149 V\n0.431448 0.002530 0.244740 V\n0.562009 0.999838 0.752043 V\n0.563277 0.432721 0.243402 V\n0.994822 0.569957 0.260130 V\n0.085268 0.680873 0.839704 P\n0.233036 0.683464 0.342175 P\n0.087351 0.226462 0.339736 P\n0.338795 0.333185 0.630737 P\n0.326774 0.338779 0.129230 P\n0.225009 0.087395 0.842361 P\n0.316471 0.912046 0.659826 P\n0.683632 0.229642 0.841590 P\n0.314151 0.771817 0.157588 P\n0.679326 0.089542 0.340604 P\n0.772719 0.910210 0.159792 P\n0.671122 0.662759 0.869386 P\n0.658833 0.666778 0.370799 P\n0.913375 0.773468 0.656441 P\n0.765950 0.319673 0.658441 P\n0.914379 0.321614 0.158151 P\n0.000392 0.763958 0.569787 O\n0.090192 0.654551 0.334584 O\n0.208640 0.792032 0.249906 O\n0.234472 0.762538 0.071787 O\n0.093730 0.521180 0.820616 O\n0.253612 0.657409 0.834339 O\n0.179953 0.487467 0.169631 O\n0.097274 0.380573 0.324661 O\n0.987440 0.255525 0.066102 O\n0.081211 0.257947 0.836391 O\n0.339826 0.477609 0.677048 O\n0.187247 0.334659 0.674052 O\n0.384648 0.523753 0.321956 O\n0.344258 0.328296 0.526305 O\n0.335688 0.334453 0.024854 O\n0.523621 0.382542 0.825067 O\n0.332545 0.186047 0.174563 O\n0.477828 0.337086 0.174501 O\n0.256506 0.081672 0.338898 O\n0.204041 0.008096 0.746462 O\n0.238377 0.999602 0.929384 O\n0.254030 0.989175 0.567844 O\n0.379944 0.096257 0.820213 O\n0.488895 0.180448 0.672628 O\n0.658052 0.257945 0.334821 O\n0.343434 0.913487 0.165696 O\n0.520744 0.095206 0.318695 O\n0.239442 0.764473 0.427955 O\n0.757432 0.245399 0.568130 O\n0.478726 0.902826 0.681910 O\n0.659568 0.083569 0.840830 O\n0.784805 0.204740 0.744889 O\n0.341793 0.743523 0.670633 O\n0.512012 0.817167 0.328793 O\n0.618812 0.901657 0.179038 O\n0.762758 0.989410 0.068531 O\n0.749200 0.011220 0.431548 O\n0.790195 0.999782 0.250175 O\n0.742518 0.918032 0.662925 O\n0.523840 0.661805 0.825118 O\n0.476737 0.618174 0.175150 O\n0.670427 0.816211 0.828543 O\n0.664794 0.665945 0.475518 O\n0.674013 0.663915 0.974137 O\n0.615279 0.478768 0.676933 O\n0.812488 0.666279 0.326776 O\n0.665571 0.515089 0.330019 O\n0.919198 0.742436 0.165736 O\n0.992073 0.794802 0.752768 O\n0.000824 0.753615 0.930314 O\n0.905547 0.618215 0.677032 O\n0.819705 0.514105 0.827096 O\n0.745099 0.345694 0.170418 O\n0.907083 0.479718 0.182256 O\n0.771097 0.236008 0.924605 O\n0.911635 0.342381 0.665494 O\n0.992334 0.236411 0.423755 O\n0.011400 0.204367 0.243780 O\n",
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"nelements": 4,
"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.504981391597089,
"density_atomic": 0.07326126921815049,
"volume": 1173.8808365975387,
"volume_molar": 8.22008794588016,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -656.2438315200001,
"energy_per_atom": -7.630742226976745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -606.19783152,
"band_gap": 1.2464000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.255000Z",
"spacegroup": 1
},
{
"id": "mp-1184244",
"created_at": "2022-09-04T14:42:23.875380Z",
"structure_string": "Er1 Sb1 Rh2\n1.0\n0.000000 3.318827 3.318827\n3.318827 0.000000 3.318827\n3.318827 3.318827 0.000000\nEr Sb Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.749999 0.749999 Sb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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"elements": [
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],
"chemical_system": "Er-Rh-Sb",
"density": 11.238834596553913,
"density_atomic": 0.05471118884642796,
"volume": 73.11118775407776,
"volume_molar": 11.007146594646114,
"formula_full": "Er1 Sb1 Rh2",
"formula_reduced": "ErSbRh2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -26.40424925,
"band_gap": 0.0,
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"total_magnetization": 0.0018919,
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"updated_at": "2021-11-28T01:35:46.449000Z",
"spacegroup": 225
}
]
}