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"structure_string": "Ba4 Co2 Se4 Cl4 O12\n1.0\n5.397051 0.000000 0.000000\n0.000000 6.814531 -0.000000\n0.000000 -0.000000 12.639098\nBa Co Se Cl O\n4 2 4 4 12\ndirect\n0.500000 0.697584 0.731733 Ba\n0.500000 0.302416 0.268267 Ba\n0.000000 0.197584 0.768267 Ba\n0.000000 0.802416 0.231733 Ba\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.757548 0.429994 Se\n0.500000 0.242452 0.570006 Se\n0.000000 0.257548 0.070006 Se\n0.000000 0.742452 0.929994 Se\n0.000000 0.177282 0.398089 Cl\n0.000000 0.822717 0.601911 Cl\n0.500000 0.322717 0.898089 Cl\n0.500000 0.677282 0.101911 Cl\n0.257681 0.399613 0.607316 O\n0.757681 0.100387 0.107316 O\n0.000000 0.585272 0.825482 O\n0.257681 0.600387 0.392684 O\n0.000000 0.414728 0.174518 O\n0.742319 0.600387 0.392684 O\n0.742319 0.399613 0.607316 O\n0.242319 0.899613 0.892685 O\n0.242319 0.100387 0.107316 O\n0.500000 0.914728 0.325482 O\n0.500000 0.085272 0.674518 O\n0.757681 0.899613 0.892685 O\n",
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{
"id": "jvasp-116584",
"created_at": "2022-09-04T14:38:43.711695Z",
"updated_at": "2022-09-04T14:38:43.711739Z",
"structure_string": "U10 Sb8\n1.0\n9.317727 -0.000000 0.000000\n-4.658864 8.069388 0.000000\n-0.000000 0.000000 6.179427\nU Sb\n10 8\ndirect\n0.333334 0.666667 -0.000000 U\n0.289019 0.289019 0.750000 U\n0.000000 0.710981 0.750000 U\n0.000000 0.289019 0.250000 U\n0.710981 0.000000 0.750000 U\n0.710982 0.710981 0.250000 U\n0.333334 0.666667 0.500000 U\n0.666667 0.333333 0.500000 U\n0.666667 0.333333 -0.000000 U\n0.289019 0.000000 0.250000 U\n0.377183 0.377183 0.250000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.622817 0.000000 0.250000 Sb\n0.377183 0.000000 0.750000 Sb\n0.000000 0.622817 0.250000 Sb\n0.000000 0.377183 0.750000 Sb\n0.622818 0.622817 0.750000 Sb\n",
"nsites": 18,
"nelements": 2,
"elements": [
"U",
"Sb"
],
"chemical_system": "Sb-U",
"density": 11.988398207381813,
"density_atomic": 0.038741257999938564,
"volume": 464.6209475187549,
"volume_molar": 15.544515255569527,
"formula_full": "U10 Sb8",
"formula_reduced": "U5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 4.7468860444444445,
"spacegroup": 193
},
{
"id": "jvasp-12818",
"created_at": "2022-09-04T14:38:30.737883Z",
"updated_at": "2022-09-04T14:38:30.737909Z",
"structure_string": "Na10 In2 S8\n1.0\n0.000000 6.753059 0.010904\n8.804099 0.000000 0.000000\n0.000000 -0.104222 -7.813312\nNa In S\n10 2 8\ndirect\n0.343197 0.481062 0.335106 Na\n0.000000 0.000000 0.000000 Na\n0.669204 0.250000 0.162050 Na\n0.330797 0.750000 0.837950 Na\n0.976640 0.250000 0.523102 Na\n0.000000 0.500000 0.000000 Na\n0.343197 0.018938 0.335106 Na\n0.656803 0.518938 0.664894 Na\n0.656803 0.981062 0.664894 Na\n0.023361 0.750000 0.476898 Na\n0.639130 0.750000 0.175136 In\n0.360870 0.250000 0.824864 In\n0.763104 0.750000 0.875503 S\n0.768747 0.982227 0.328332 S\n0.231253 0.482227 0.671668 S\n0.231253 0.017774 0.671668 S\n0.768747 0.517774 0.328332 S\n0.267286 0.750000 0.178049 S\n0.732714 0.250000 0.821951 S\n0.236896 0.250000 0.124497 S\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "In-Na-S",
"density": 2.5596666611778023,
"density_atomic": 0.043054516979984025,
"volume": 464.52733424690297,
"volume_molar": 13.98724496851209,
"formula_full": "Na10 In2 S8",
"formula_reduced": "Na5InS4",
"formula_anonymous": "AB4C5",
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"spacegroup": 11
}
]
}