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"structure_string": "Li12 B8 Sb4 O24\n1.0\n9.053349 0.000000 0.000000\n0.000000 5.352838 0.000000\n0.000000 5.110681 10.664473\nLi B Sb O\n12 8 4 24\ndirect\n0.974124 0.518159 0.324948 Li\n0.653181 0.443852 0.383716 Li\n0.986276 0.924291 0.905421 Li\n0.153181 0.556148 0.116284 Li\n0.486276 0.075709 0.594579 Li\n0.474124 0.481841 0.175052 Li\n0.525876 0.518159 0.824948 Li\n0.513724 0.924291 0.405421 Li\n0.846819 0.443852 0.883716 Li\n0.013724 0.075709 0.094579 Li\n0.346819 0.556148 0.616284 Li\n0.025876 0.481841 0.675052 Li\n0.328581 0.459761 0.379207 B\n0.672050 0.968747 0.867011 B\n0.828581 0.540239 0.120793 B\n0.172050 0.031253 0.632989 B\n0.827950 0.968747 0.367011 B\n0.171419 0.459761 0.879207 B\n0.327950 0.031253 0.132989 B\n0.671419 0.540239 0.620793 B\n0.326941 0.974404 0.874083 Sb\n0.826941 0.025596 0.625917 Sb\n0.173059 0.974404 0.374083 Sb\n0.673059 0.025596 0.125917 Sb\n0.331789 0.812117 0.100042 O\n0.641658 0.331644 0.582403 O\n0.942137 0.712291 0.122472 O\n0.044332 0.168291 0.639848 O\n0.304144 0.125943 0.663719 O\n0.684067 0.566001 0.156017 O\n0.184067 0.433999 0.343983 O\n0.804144 0.874057 0.836281 O\n0.544332 0.831709 0.860152 O\n0.442137 0.287709 0.377528 O\n0.831789 0.187883 0.399958 O\n0.141658 0.668356 0.917597 O\n0.858342 0.331644 0.082403 O\n0.168211 0.812117 0.600042 O\n0.557863 0.712291 0.622472 O\n0.455668 0.168291 0.139848 O\n0.195856 0.125943 0.163719 O\n0.815933 0.566001 0.656017 O\n0.315933 0.433999 0.843983 O\n0.695856 0.874057 0.336281 O\n0.955668 0.831709 0.360152 O\n0.057863 0.287709 0.877528 O\n0.358342 0.668356 0.417597 O\n0.668211 0.187883 0.899958 O\n",
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"elements": [
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],
"chemical_system": "B-Li-O-Sb",
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"density_atomic": 0.09287706352563048,
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"volume_molar": 6.483991344470232,
"formula_full": "Li12 B8 Sb4 O24",
"formula_reduced": "Li3B2SbO6",
"formula_anonymous": "AB2C3D6",
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"updated_at": "2021-11-28T01:35:48.138000Z",
"spacegroup": 14
},
{
"id": "mp-504184",
"created_at": "2022-09-04T14:42:40.876330Z",
"structure_string": "Li4 Fe4 P4 O16\n1.0\n5.112248 0.000023 0.009940\n0.000047 10.253861 -0.000338\n0.006486 -0.000229 6.897083\nLi Fe P O\n4 4 4 16\ndirect\n0.203092 0.150944 0.500862 Li\n0.296917 0.650934 0.999140 Li\n0.703068 0.349064 0.000868 Li\n0.796930 0.849065 0.499141 Li\n0.706091 0.343702 0.500801 Fe\n0.794063 0.843653 0.999293 Fe\n0.205856 0.156376 0.000706 Fe\n0.294098 0.656376 0.499229 Fe\n0.200759 0.403826 0.250084 P\n0.299183 0.903833 0.249917 P\n0.700829 0.096158 0.750091 P\n0.799170 0.596153 0.749906 P\n0.099226 0.623828 0.752137 O\n0.400769 0.123822 0.747888 O\n0.599248 0.876153 0.252137 O\n0.900686 0.376133 0.247785 O\n0.175065 0.842730 0.434355 O\n0.324967 0.342735 0.065665 O\n0.675005 0.657274 0.934317 O\n0.825010 0.157295 0.565715 O\n0.185309 0.839675 0.063159 O\n0.314660 0.339670 0.436819 O\n0.685313 0.660322 0.563149 O\n0.814679 0.160331 0.936857 O\n0.241992 0.052743 0.249445 O\n0.258002 0.552747 0.250563 O\n0.741986 0.447228 0.749425 O\n0.758027 0.947232 0.750545 O\n",
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"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.8982425411650854,
"density_atomic": 0.0774451158855172,
"volume": 361.5463632515037,
"volume_molar": 7.776011038452309,
"formula_full": "Li4 Fe4 P4 O16",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy": -211.45369568,
"energy_per_atom": -7.551917702857144,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:51.227000Z",
"spacegroup": 14
},
{
"id": "mp-510408",
"created_at": "2022-09-04T14:42:40.706587Z",
"structure_string": "Mn4 O8\n1.0\n0.000000 4.458142 -0.000085\n-2.942355 -0.000085 4.458173\n2.942163 -0.000085 4.458046\nMn O\n4 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.305974 0.152981 0.152976 O\n0.305974 0.652981 0.652976 O\n0.194019 0.152984 0.652979 O\n0.194019 0.652984 0.152979 O\n0.694026 0.347019 0.347024 O\n0.694026 0.847019 0.847024 O\n0.805981 0.847016 0.347021 O\n0.805981 0.347016 0.847021 O\n",
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"elements": [
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"O"
],
"chemical_system": "Mn-O",
"density": 4.937390077810225,
"density_atomic": 0.10260433782434537,
"volume": 116.9541196254639,
"volume_molar": 5.869284757053519,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy": -97.54476776,
"energy_per_atom": -8.128730646666666,
"energy_above_hull": null,
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"energy_uncorrected": -85.37676776,
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"updated_at": "2021-11-28T01:35:53.508000Z",
"spacegroup": 136
}
]
}