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{
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{
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{
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{
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{
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.81806111,
"band_gap": 2.0872,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9994506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.484000Z",
"spacegroup": 2
},
{
"id": "mp-19021",
"created_at": "2022-09-04T14:48:23.103660Z",
"structure_string": "Ba2 Co4 P4 O16\n1.0\n-2.116361 -4.198625 1.379744\n4.555234 -0.063919 15.538951\n-4.706188 -0.044533 1.371040\nBa Co P O\n2 4 4 16\ndirect\n0.999908 0.500114 0.500069 Ba\n0.999776 0.999769 0.000257 Ba\n0.830511 0.754757 0.584896 Co\n0.168844 0.245554 0.414915 Co\n0.832183 0.254096 0.085998 Co\n0.169561 0.745231 0.915022 Co\n0.426585 0.859395 0.286960 P\n0.426880 0.359674 0.786541 P\n0.573421 0.640646 0.213001 P\n0.573200 0.140392 0.713670 P\n0.362401 0.955429 0.318805 O\n0.362880 0.455716 0.817531 O\n0.636962 0.544627 0.181468 O\n0.635900 0.044341 0.682387 O\n0.562363 0.672610 0.522242 O\n0.563588 0.172600 0.021454 O\n0.243356 0.672479 0.233661 O\n0.242603 0.172415 0.734824 O\n0.437852 0.827460 0.977575 O\n0.438770 0.327542 0.476370 O\n0.148579 0.827916 0.585754 O\n0.148924 0.328144 0.084411 O\n0.851629 0.672044 0.914156 O\n0.850894 0.171667 0.414756 O\n0.756742 0.827696 0.266197 O\n0.755688 0.327685 0.767084 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Co",
"P",
"O"
],
"chemical_system": "Ba-Co-O-P",
"density": 4.462345170280401,
"density_atomic": 0.07848101034495679,
"volume": 331.2903323456101,
"volume_molar": 7.6733731300478665,
"formula_full": "Ba2 Co4 P4 O16",
"formula_reduced": "BaCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -199.42574645,
"energy_per_atom": -7.670221017307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.88174645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09Z",
"spacegroup": 148
}
]
}