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{
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{
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{
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"nsites": 36,
"nelements": 3,
"elements": [
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],
"chemical_system": "As-Na-Si",
"density": 2.9488201144069612,
"density_atomic": 0.04345412159421312,
"volume": 828.459963733203,
"volume_molar": 13.858618098960678,
"formula_full": "Na20 Si4 As12",
"formula_reduced": "Na5SiAs3",
"formula_anonymous": "AB3C5",
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"spacegroup": 14
},
{
"id": "jvasp-40594",
"created_at": "2022-09-04T14:37:56.325315Z",
"updated_at": "2022-09-04T14:37:56.325336Z",
"structure_string": "Rb4 Ba4 Ta4 S16\n1.0\n7.042254 0.000000 0.000000\n0.000000 9.396972 0.000000\n0.000000 0.000000 12.512297\nRb Ba Ta S\n4 4 4 16\ndirect\n0.750000 0.636659 0.090488 Rb\n0.250000 0.863341 0.590489 Rb\n0.750000 0.136659 0.409512 Rb\n0.250000 0.363341 0.909512 Rb\n0.750000 0.978589 0.825485 Ba\n0.250000 0.521410 0.325485 Ba\n0.750000 0.478590 0.674515 Ba\n0.250000 0.021410 0.174515 Ba\n0.250000 0.268795 0.578803 Ta\n0.750000 0.231205 0.078803 Ta\n0.250000 0.768795 0.921197 Ta\n0.750000 0.731205 0.421197 Ta\n0.489700 0.318879 0.162179 S\n0.510300 0.181121 0.662179 S\n0.989699 0.181121 0.662179 S\n0.010300 0.318879 0.162179 S\n0.510300 0.681120 0.837821 S\n0.489700 0.818879 0.337821 S\n0.250000 0.011825 0.912711 S\n0.250000 0.693639 0.094638 S\n0.250000 0.511825 0.587290 S\n0.750000 0.988175 0.087290 S\n0.250000 0.193639 0.405362 S\n0.750000 0.306361 0.905362 S\n0.989699 0.681120 0.837821 S\n0.750000 0.806361 0.594638 S\n0.750000 0.488175 0.412711 S\n0.010300 0.818879 0.337821 S\n",
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"elements": [
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"S"
],
"chemical_system": "Ba-Rb-S-Ta",
"density": 4.267624958871265,
"density_atomic": 0.0338159325728686,
"volume": 828.0120602814641,
"volume_molar": 17.808589921402078,
"formula_full": "Rb4 Ba4 Ta4 S16",
"formula_reduced": "RbBaTaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9049335957142857,
"spacegroup": 62
}
]
}