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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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{
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{
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{
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{
"id": "mp-1228415",
"created_at": "2022-09-04T14:45:36.638847Z",
"structure_string": "Ba3 Nd3 Co6 O16\n1.0\n2.822554 8.186331 0.000000\n-2.822554 8.186331 0.000000\n0.000000 5.316435 7.934021\nBa Nd Co O\n3 3 6 16\ndirect\n0.000000 0.000000 0.500000 Ba\n0.335663 0.335663 0.832808 Ba\n0.664337 0.664337 0.167192 Ba\n0.158512 0.158512 0.683651 Nd\n0.500000 0.500000 0.000000 Nd\n0.841488 0.841488 0.316349 Nd\n0.081241 0.081241 0.080239 Co\n0.413261 0.413261 0.421402 Co\n0.750872 0.750872 0.741563 Co\n0.249128 0.249128 0.258437 Co\n0.586739 0.586739 0.578598 Co\n0.918759 0.918759 0.919761 Co\n0.718805 0.241111 0.243653 O\n0.064736 0.566908 0.565399 O\n0.419089 0.895936 0.894184 O\n0.241111 0.718805 0.243653 O\n0.566908 0.064736 0.565399 O\n0.895936 0.419089 0.894184 O\n0.935264 0.433092 0.434601 O\n0.281195 0.758889 0.756347 O\n0.580911 0.104064 0.105816 O\n0.433092 0.935264 0.434601 O\n0.758889 0.281195 0.756347 O\n0.104064 0.580911 0.105816 O\n0.157452 0.157452 0.163471 O\n0.500000 0.500000 0.500000 O\n0.842548 0.842548 0.836529 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.586385949664285,
"density_atomic": 0.07636654279282301,
"volume": 366.65271172432153,
"volume_molar": 7.885836571569882,
"formula_full": "Ba3 Nd3 Co6 O16",
"formula_reduced": "Ba3Nd3(Co3O8)2",
"formula_anonymous": "A3B3C6D16",
"energy": -206.73479515,
"energy_per_atom": -7.383385541071428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.91479515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.9999284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.251000Z",
"spacegroup": 12
}
]
}