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{
"id": "jvasp-59094",
"created_at": "2022-09-04T14:38:36.373626Z",
"updated_at": "2022-09-04T14:38:36.373652Z",
"structure_string": "Na10 Ca1 Sn12\n1.0\n9.166576 -0.000000 -3.240874\n-4.583288 7.938488 -3.240874\n0.000000 0.000000 9.722621\nNa Ca Sn\n10 1 12\ndirect\n0.500000 0.250000 0.750000 Na\n-0.000000 -0.000000 0.384795 Na\n-0.000000 0.384795 0.000000 Na\n0.384795 0.000000 0.000000 Na\n0.615205 0.615205 0.615206 Na\n0.500000 0.750000 0.250001 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.500000 0.750000 Na\n0.750000 0.500000 0.250001 Na\n0.000000 0.000000 0.000000 Ca\n0.810701 0.627140 0.000001 Sn\n-0.000000 0.810701 0.627140 Sn\n0.816441 0.189300 0.189300 Sn\n0.189300 0.816441 0.189300 Sn\n0.810701 -0.000000 0.627140 Sn\n0.189300 0.189300 0.816440 Sn\n-0.000000 0.627140 0.810701 Sn\n0.183560 0.372860 0.372860 Sn\n0.372860 0.183560 0.372860 Sn\n0.627140 0.810701 0.000001 Sn\n0.627140 -0.000000 0.810701 Sn\n0.372860 0.372860 0.183560 Sn\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Sn"
],
"chemical_system": "Ca-Na-Sn",
"density": 3.977052040285352,
"density_atomic": 0.03250869553987026,
"volume": 707.5030116724208,
"volume_molar": 18.52470749745757,
"formula_full": "Na10 Ca1 Sn12",
"formula_reduced": "Na10CaSn12",
"formula_anonymous": "AB10C12",
"energy_above_hull": 0.0,
"spacegroup": 217
}
]
}