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{
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],
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"volume_molar": 6.922858597670488,
"formula_full": "U4 Si24 H216 C72 N12 F4",
"formula_reduced": "USi6H54C18N3F",
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"energy": -1787.11864211,
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"updated_at": "2021-11-28T01:39:20.719000Z",
"spacegroup": 14
},
{
"id": "mp-770929",
"created_at": "2022-09-04T14:39:05.308928Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.815864 0.334648 0.105590\n0.256113 6.752439 -0.052669\n0.045958 -0.039498 5.160699\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.084387 0.210119 0.743455 Na\n0.245226 0.517555 0.247964 Na\n0.751350 0.491527 0.754237 Na\n0.295037 0.054786 0.215627 Li\n0.714387 0.951251 0.778341 Li\n0.906801 0.805992 0.262388 Li\n0.359482 0.758230 0.778547 Mn\n0.650091 0.235345 0.223205 Mn\n0.422100 0.244582 0.712740 P\n0.584951 0.750799 0.289135 P\n0.035901 0.762292 0.737739 C\n0.954415 0.237147 0.260519 C\n0.100969 0.236718 0.281508 O\n0.062576 0.752802 0.983436 O\n0.148542 0.766550 0.569783 O\n0.326966 0.078233 0.823239 O\n0.338012 0.444790 0.800006 O\n0.428754 0.230098 0.409395 O\n0.419432 0.780946 0.187662 O\n0.587706 0.221335 0.811053 O\n0.575858 0.768607 0.591863 O\n0.662651 0.547940 0.204399 O\n0.688597 0.910549 0.180758 O\n0.866562 0.236597 0.466690 O\n0.891290 0.235047 0.035695 O\n0.897956 0.770162 0.650615 O\n",
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"elements": [
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"O"
],
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"density": 2.759115231605815,
"density_atomic": 0.08476957829082364,
"volume": 306.7138061109656,
"volume_molar": 7.104129667059934,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -188.783342,
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"updated_at": "2021-11-28T01:34:28.969000Z",
"spacegroup": 1
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{
"id": "mp-1177494",
"created_at": "2022-09-04T14:48:22.076393Z",
"structure_string": "Li4 Cr1 Fe3 Cu2 P6 O24\n1.0\n8.587424 0.000000 0.000000\n4.146282 7.598060 0.000000\n4.153975 2.477474 7.187094\nLi Cr Fe Cu P O\n4 1 3 2 6 24\ndirect\n0.749839 0.151217 0.349321 Li\n0.250544 0.844360 0.652115 Li\n0.651998 0.250404 0.845467 Li\n0.844182 0.651027 0.251005 Li\n0.855091 0.851802 0.856273 Cr\n0.146426 0.142433 0.138211 Fe\n0.352824 0.361270 0.356540 Fe\n0.647665 0.645829 0.651330 Fe\n0.020972 0.001823 0.991548 Cu\n0.480186 0.509977 0.499004 Cu\n0.047565 0.749141 0.456225 P\n0.454293 0.045824 0.749571 P\n0.749544 0.454047 0.047923 P\n0.249420 0.539435 0.959673 P\n0.544775 0.960056 0.251090 P\n0.954333 0.247461 0.539144 P\n0.123641 0.293642 0.497109 O\n0.304027 0.506643 0.118480 O\n0.045116 0.921043 0.276156 O\n0.529446 0.116495 0.299592 O\n0.018701 0.800497 0.618595 O\n0.238274 0.591463 0.430634 O\n0.263831 0.068552 0.907975 O\n0.453556 0.226035 0.577794 O\n0.193307 0.381368 0.993392 O\n0.592290 0.428061 0.240307 O\n0.087956 0.733749 0.935210 O\n0.375999 0.002849 0.204122 O\n0.615025 0.012937 0.807871 O\n0.906879 0.261462 0.071690 O\n0.410971 0.564251 0.766564 O\n0.804689 0.613624 0.018607 O\n0.565924 0.767187 0.412482 O\n0.736101 0.930336 0.087661 O\n0.763906 0.410039 0.570371 O\n0.970275 0.198399 0.383114 O\n0.486057 0.883108 0.696861 O\n0.934512 0.085194 0.732542 O\n0.692631 0.485703 0.888895 O\n0.887227 0.688254 0.492534 O\n",
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"elements": [
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"chemical_system": "Cr-Cu-Fe-Li-O-P",
"density": 3.3434987696570615,
"density_atomic": 0.08529843066855151,
"volume": 468.9418045149043,
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"O"
],
"chemical_system": "Al-C-Ca-Na-O-Si",
"density": 2.231176975549979,
"density_atomic": 0.06638440380638665,
"volume": 783.3165174106337,
"volume_molar": 9.071619860538128,
"formula_full": "Na6 Ca2 Al6 Si6 C2 O30",
"formula_reduced": "Na3CaAl3Si3CO15",
"formula_anonymous": "ABC3D3E3F15",
"energy": -376.04762564,
"energy_per_atom": -7.231685108461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.43762564,
"band_gap": 0.8134000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:35.420000Z",
"spacegroup": 173
}
]
}