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"structure_string": "Ba2 Ag2 Te2 F2\n1.0\n4.576203 0.000000 -0.000000\n0.000000 4.576203 0.000000\n0.000000 0.000000 9.606617\nBa Ag Te F\n2 2 2 2\ndirect\n0.500000 0.000000 0.148484 Ba\n0.000000 0.500000 0.851516 Ba\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.312842 Te\n0.500000 0.000000 0.687159 Te\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Te",
"F"
],
"chemical_system": "Ag-Ba-F-Te",
"density": 6.46778231833949,
"density_atomic": 0.03976572891585157,
"volume": 201.17825620470418,
"volume_molar": 15.144047208950902,
"formula_full": "Ba2 Ag2 Te2 F2",
"formula_reduced": "BaAgTeF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-48169",
"created_at": "2022-09-04T14:35:52.713774Z",
"updated_at": "2022-09-04T14:35:52.713795Z",
"structure_string": "Li10 Mn2 O6 F2\n1.0\n4.648536 -0.012560 0.028702\n0.017971 6.592391 -0.009206\n0.073358 0.008885 6.560810\nLi Mn O F\n10 2 6 2\ndirect\n0.965431 0.307699 0.249279 Li\n0.985069 0.725394 0.675283 Li\n0.957787 0.006901 0.473796 Li\n0.467631 0.045402 0.470648 Li\n0.514926 0.225380 0.774727 Li\n0.479204 0.801559 0.748498 Li\n0.534557 0.807694 0.200721 Li\n0.542218 0.506902 0.976194 Li\n0.032374 0.545412 0.979355 Li\n0.020793 0.301565 0.701495 Li\n0.965819 0.012154 0.965540 Mn\n0.534185 0.512153 0.484460 Mn\n0.812877 0.292837 0.973091 O\n0.745099 0.255215 0.494042 O\n0.754919 0.755222 0.955953 O\n0.281668 0.523023 0.741371 O\n0.687117 0.792829 0.476906 O\n0.218330 0.023017 0.708633 O\n0.275944 0.529816 0.204509 F\n0.224066 0.029811 0.245489 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.5875580997389567,
"density_atomic": 0.09948081016368845,
"volume": 201.04379897079096,
"volume_molar": 6.053570281636231,
"formula_full": "Li10 Mn2 O6 F2",
"formula_reduced": "Li5MnO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.5649918023879308,
"spacegroup": 4
}
]
}