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"spacegroup": 62
},
{
"id": "jvasp-96516",
"created_at": "2022-09-04T14:36:09.194072Z",
"updated_at": "2022-09-04T14:36:09.194100Z",
"structure_string": "Zn14 S14\n1.0\n3.839270 -0.000000 -0.000000\n-1.919635 3.324905 0.000000\n-0.000000 -0.000000 44.011033\nZn S\n14 14\ndirect\n0.666667 0.333333 0.142842 Zn\n0.333333 0.666668 0.499799 Zn\n0.333333 0.666668 0.285597 Zn\n0.666667 0.333333 0.928732 Zn\n0.666667 0.333333 0.428370 Zn\n0.000000 0.000000 0.000219 Zn\n0.000000 0.000000 0.357081 Zn\n0.000000 0.000000 0.857295 Zn\n0.666667 0.333333 0.714544 Zn\n0.000000 0.000000 0.214159 Zn\n0.666667 0.333333 0.571395 Zn\n0.333333 0.666668 0.071520 Zn\n0.333333 0.666668 0.786004 Zn\n0.333333 0.666668 0.642966 Zn\n0.666667 0.333333 0.624936 S\n0.666667 0.333333 0.481823 S\n0.000000 0.000000 0.053661 S\n0.000000 0.000000 0.410520 S\n0.333333 0.666668 0.553363 S\n0.000000 0.000000 0.267614 S\n0.333333 0.666668 0.696509 S\n0.666667 0.333333 0.768096 S\n0.333333 0.666668 0.339169 S\n0.666667 0.333333 0.196304 S\n0.666667 0.333333 0.982304 S\n0.333333 0.666668 0.839445 S\n0.000000 0.000000 0.910749 S\n0.333333 0.666668 0.124983 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
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],
"chemical_system": "S-Zn",
"density": 4.033448006284662,
"density_atomic": 0.04983891427535896,
"volume": 561.8099913914774,
"volume_molar": 12.083210173335234,
"formula_full": "Zn14 S14",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.00077,
"spacegroup": 156
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{
"id": "jvasp-95373",
"created_at": "2022-09-04T14:36:09.018010Z",
"updated_at": "2022-09-04T14:36:09.018038Z",
"structure_string": "Sr4 Y8 S16\n1.0\n3.987291 0.000000 0.000000\n-0.000000 11.978445 0.000000\n0.000000 0.000000 14.332949\nSr Y S\n4 8 16\ndirect\n0.750000 0.742659 0.838059 Sr\n0.250000 0.257341 0.161941 Sr\n0.750000 0.242659 0.661941 Sr\n0.250000 0.757341 0.338059 Sr\n0.750000 0.580628 0.100815 Y\n0.750000 0.080628 0.399185 Y\n0.250000 0.919372 0.600815 Y\n0.750000 0.068898 0.890245 Y\n0.250000 0.931103 0.109756 Y\n0.750000 0.568898 0.609756 Y\n0.250000 0.431102 0.390244 Y\n0.250000 0.419372 0.899185 Y\n0.250000 0.521836 0.216074 S\n0.750000 0.478164 0.783926 S\n0.250000 0.631259 0.973307 S\n0.250000 0.914075 0.920988 S\n0.750000 0.085925 0.079012 S\n0.250000 0.414075 0.579012 S\n0.750000 0.585925 0.420988 S\n0.250000 0.207914 0.824743 S\n0.750000 0.792086 0.175257 S\n0.250000 0.707915 0.675257 S\n0.750000 0.292086 0.324743 S\n0.750000 0.868741 0.473307 S\n0.250000 0.131259 0.526693 S\n0.750000 0.368741 0.026693 S\n0.750000 0.978164 0.716074 S\n0.250000 0.021836 0.283926 S\n",
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"elements": [
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],
"chemical_system": "S-Sr-Y",
"density": 3.819894922800523,
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"volume": 684.5638021549378,
"volume_molar": 14.723355627777952,
"formula_full": "Sr4 Y8 S16",
"formula_reduced": "Sr(YS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.75735103,
"spacegroup": 62
}
]
}