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"structure_string": "Ho12 Co5 Bi1\n1.0\n7.675617 0.013844 -2.901316\n-3.650161 6.738292 -2.933373\n0.012727 -0.013844 8.205643\nHo Co Bi\n12 5 1\ndirect\n0.816139 0.711125 0.527265 Ho\n0.011927 0.205909 0.806018 Ho\n0.988074 0.794091 0.193982 Ho\n0.399891 0.205908 0.193982 Ho\n0.311345 0.002979 0.691633 Ho\n0.688655 0.997021 0.308366 Ho\n0.600110 0.794091 0.806018 Ho\n0.688656 0.380287 0.691633 Ho\n0.816138 0.288874 0.105012 Ho\n0.183862 0.711126 0.894988 Ho\n0.183862 0.288874 0.472735 Ho\n0.311345 0.619712 0.308367 Ho\n0.000000 0.000000 0.000000 Co\n0.624071 -0.000000 0.624070 Co\n0.375930 -0.000000 0.375929 Co\n0.112508 0.612508 0.500000 Co\n0.887492 0.387492 0.500000 Co\n0.500000 0.500000 -0.000000 Bi\n",
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{
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"structure_string": "Na2 Sb2 Cl12\n1.0\n6.280683 -0.000000 0.000000\n0.000000 6.280683 0.000000\n0.000000 0.000000 10.763956\nNa Sb Cl\n2 2 12\ndirect\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.500000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.000000 Sb\n0.778357 0.183827 0.000000 Cl\n0.816173 0.778357 0.500000 Cl\n0.183827 0.221642 0.500000 Cl\n0.221642 0.816173 0.000000 Cl\n0.227643 0.346917 0.158332 Cl\n0.653082 0.227643 0.658332 Cl\n0.346917 0.772356 0.658332 Cl\n0.772356 0.653082 0.158332 Cl\n0.772356 0.653082 0.841668 Cl\n0.346917 0.772356 0.341668 Cl\n0.653082 0.227643 0.341668 Cl\n0.227643 0.346917 0.841668 Cl\n",
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"created_at": "2022-09-04T14:35:55.717402Z",
"updated_at": "2022-09-04T14:35:55.717427Z",
"structure_string": "K2 Ge4 P6 O24\n1.0\n7.184576 0.015976 5.262822\n2.677393 6.667080 5.262822\n0.023575 0.015975 8.905889\nK Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.347192 0.347192 0.347192 Ge\n0.652807 0.652808 0.652808 Ge\n0.146740 0.146740 0.146740 Ge\n0.853260 0.853260 0.853260 Ge\n0.535072 0.965257 0.251955 P\n0.251954 0.535072 0.965258 P\n0.965257 0.251955 0.535072 P\n0.748045 0.464928 0.034742 P\n0.034742 0.748045 0.464928 P\n0.464927 0.034743 0.748045 P\n0.791491 0.475664 0.832921 O\n0.524336 0.167079 0.208509 O\n0.167078 0.208509 0.524336 O\n0.208509 0.524336 0.167079 O\n0.475664 0.832921 0.791491 O\n0.832921 0.791491 0.475664 O\n0.481846 0.182031 0.529681 O\n0.630112 0.015672 0.776998 O\n0.182031 0.529680 0.481847 O\n0.529680 0.481847 0.182031 O\n0.518153 0.817969 0.470319 O\n0.817969 0.470320 0.518153 O\n0.470319 0.518153 0.817969 O\n0.874737 0.104339 0.739191 O\n0.776998 0.630113 0.015672 O\n0.104339 0.739191 0.874738 O\n0.125262 0.895661 0.260809 O\n0.895661 0.260809 0.125262 O\n0.260808 0.125262 0.895661 O\n0.369887 0.984328 0.223002 O\n0.223002 0.369887 0.984328 O\n0.984328 0.223003 0.369887 O\n0.739191 0.874737 0.104339 O\n0.015672 0.776997 0.630113 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Ge",
"P",
"O"
],
"chemical_system": "Ge-K-O-P",
"density": 3.667120823171099,
"density_atomic": 0.08470423387532071,
"volume": 425.0082711684723,
"volume_molar": 7.109610092057749,
"formula_full": "K2 Ge4 P6 O24",
"formula_reduced": "KGe2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy_above_hull": 2.5724582444444444,
"spacegroup": 148
}
]
}