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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:36:04.716000Z",
"spacegroup": 6
},
{
"id": "mp-1221704",
"created_at": "2022-09-04T14:43:12.436784Z",
"structure_string": "Mn1 Co1 Pt2\n1.0\n2.761628 0.000000 0.000000\n0.000000 2.761628 0.000000\n0.000000 0.000000 7.348035\nMn Co Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.241663 Pt\n0.500000 0.500000 0.758337 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Co",
"Pt"
],
"chemical_system": "Co-Mn-Pt",
"density": 14.935228607763435,
"density_atomic": 0.07137702135239495,
"volume": 56.040444448524,
"volume_molar": 8.437086118049303,
"formula_full": "Mn1 Co1 Pt2",
"formula_reduced": "MnCoPt2",
"formula_anonymous": "ABC2",
"energy": -29.15290427,
"energy_per_atom": -7.2882260675,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:00.474000Z",
"spacegroup": 123
},
{
"id": "mp-1100579",
"created_at": "2022-09-04T14:43:12.439675Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.901586 0.000000 0.000000\n0.000000 5.200861 0.000000\n0.000000 1.974563 19.325018\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.505529 0.998441 Li\n0.000000 0.623074 0.128183 Li\n0.500000 0.743837 0.245670 Li\n0.000000 0.875283 0.375645 Li\n0.500000 0.993263 0.506728 Li\n0.000000 0.364066 0.867537 Li\n0.500000 0.246325 0.749565 Li\n0.000000 0.137186 0.628415 Li\n0.000000 0.752436 0.750227 Li\n0.000000 0.004227 0.998982 Mn\n0.500000 0.373439 0.374449 Mn\n0.500000 0.127446 0.128584 Co\n0.000000 0.247264 0.247830 Co\n0.000000 0.497160 0.504402 Co\n0.500000 0.656342 0.634181 Co\n0.500000 0.848074 0.865822 Co\n0.500000 0.172455 0.946007 O\n0.000000 0.281160 0.062610 O\n0.500000 0.424722 0.185764 O\n0.000000 0.545227 0.319755 O\n0.500000 0.651645 0.436221 O\n0.000000 0.046793 0.818408 O\n0.500000 0.929897 0.682694 O\n0.000000 0.785331 0.564314 O\n0.500000 0.837516 0.055308 O\n0.000000 0.940583 0.184240 O\n0.500000 0.095178 0.315665 O\n0.000000 0.208714 0.430028 O\n0.500000 0.323954 0.555167 O\n0.000000 0.731770 0.938867 O\n0.500000 0.571510 0.819130 O\n0.000000 0.458593 0.681161 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.116780139348019,
"density_atomic": 0.10972848354355667,
"volume": 291.6289277550948,
"volume_molar": 5.488220164465788,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.6014798,
"energy_per_atom": -6.48754624375,
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"energy_uncorrected": -185.0834798,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.882000Z",
"spacegroup": 6
}
]
}