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"structure_string": "Co8 Ge12 S12\n1.0\n8.078237 0.001651 0.001651\n0.001651 8.078237 0.001651\n0.001651 0.001651 8.078237\nCo Ge S\n8 12 12\ndirect\n0.253333 0.258107 0.756359 Co\n0.745419 0.740644 0.242391 Co\n0.258107 0.756359 0.253333 Co\n0.740644 0.242391 0.745419 Co\n0.756359 0.253333 0.258107 Co\n0.754881 0.754881 0.754881 Co\n0.242391 0.745419 0.740644 Co\n0.243871 0.243871 0.243871 Co\n0.649256 0.831298 0.497355 Ge\n0.000231 0.149644 0.666862 Ge\n0.849102 0.331883 0.998518 Ge\n0.149644 0.666862 0.000231 Ge\n0.831298 0.497355 0.649256 Ge\n0.497355 0.649256 0.831298 Ge\n0.349496 0.167449 0.501398 Ge\n0.501398 0.349496 0.167449 Ge\n0.167449 0.501398 0.349496 Ge\n0.666862 0.000231 0.149644 Ge\n0.331883 0.998518 0.849102 Ge\n0.998518 0.849102 0.331883 Ge\n0.002908 0.147069 0.344967 S\n0.154001 0.498527 0.647587 S\n0.844747 0.500224 0.351167 S\n0.647587 0.154001 0.498527 S\n0.498527 0.647587 0.154001 S\n0.147069 0.344967 0.002908 S\n0.995844 0.851682 0.653783 S\n0.500224 0.351167 0.844747 S\n0.653783 0.995844 0.851682 S\n0.351167 0.844747 0.500224 S\n0.851682 0.653783 0.995844 S\n0.344967 0.002908 0.147069 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"Ge",
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],
"chemical_system": "Co-Ge-S",
"density": 5.44282548482335,
"density_atomic": 0.0607016171933678,
"volume": 527.1688215169379,
"volume_molar": 9.92089014830724,
"formula_full": "Co8 Ge12 S12",
"formula_reduced": "Co2(GeS)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 2.07490995625,
"spacegroup": 148
},
{
"id": "jvasp-119151",
"created_at": "2022-09-04T14:38:35.649070Z",
"updated_at": "2022-09-04T14:38:35.649087Z",
"structure_string": "Sb8 Se6 S6\n1.0\n3.968504 -0.000000 0.000000\n0.000000 11.394474 0.000000\n0.000000 -0.000000 11.661660\nSb Se S\n8 6 6\ndirect\n0.500000 0.205663 0.651850 Sb\n0.500000 0.794336 0.151850 Sb\n-0.000000 0.291226 0.346843 Sb\n-0.000000 0.708773 0.846843 Sb\n-0.000000 0.920498 0.529586 Sb\n-0.000000 0.079502 0.029586 Sb\n0.500000 0.589544 0.475917 Sb\n0.500000 0.410456 0.975917 Sb\n0.500000 0.884458 0.942490 Se\n0.500000 0.115542 0.442490 Se\n-0.000000 0.619716 0.057096 Se\n0.500000 0.546855 0.781908 Se\n0.500000 0.453144 0.281908 Se\n-0.000000 0.380284 0.557096 Se\n-0.000000 0.053669 0.709760 S\n0.500000 0.807809 0.625740 S\n0.500000 0.192190 0.125740 S\n-0.000000 0.699128 0.378811 S\n-0.000000 0.300872 0.878811 S\n-0.000000 0.946330 0.209760 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Se",
"S"
],
"chemical_system": "S-Sb-Se",
"density": 5.165024298832726,
"density_atomic": 0.037927002148649934,
"volume": 527.3287860087811,
"volume_molar": 15.878240880723991,
"formula_full": "Sb8 Se6 S6",
"formula_reduced": "Sb4(SeS)3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.92199645,
"spacegroup": 26
}
]
}