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{
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{
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"updated_at": "2022-09-04T14:38:09.704630Z",
"structure_string": "Sm6 Cu2 Sn2 S14\n1.0\n4.971103 -8.610202 0.000000\n4.971102 8.610202 0.000000\n0.000000 0.000000 6.199829\nSm Cu Sn S\n6 2 2 14\ndirect\n0.359331 0.147194 0.768902 Sm\n0.852806 0.212137 0.768902 Sm\n0.640669 0.852806 0.268901 Sm\n0.212137 0.359331 0.268901 Sm\n0.787863 0.640669 0.768902 Sm\n0.147194 0.787863 0.268901 Sm\n0.000000 0.000000 0.177554 Cu\n0.000000 0.000000 0.677554 Cu\n0.333333 0.666667 0.836978 Sn\n0.666667 0.333333 0.336978 Sn\n0.850362 0.739874 0.205291 S\n0.666667 0.333333 0.951263 S\n0.739874 0.889512 0.705291 S\n0.333333 0.666667 0.451263 S\n0.917251 0.481160 0.512642 S\n0.082749 0.518840 0.012642 S\n0.260125 0.110488 0.205291 S\n0.889512 0.149637 0.205291 S\n0.110488 0.850362 0.705291 S\n0.518840 0.436091 0.512642 S\n0.149637 0.260125 0.705291 S\n0.436091 0.917251 0.012642 S\n0.481160 0.563909 0.012642 S\n0.563909 0.082749 0.512642 S\n",
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{
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{
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{
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"structure_string": "Y6 Cu2 Si2 Se14\n1.0\n5.162776 -8.942191 -0.000000\n5.162776 8.942191 0.000000\n0.000000 0.000000 6.003361\nY Cu Si Se\n6 2 2 14\ndirect\n0.643716 0.867313 0.923412 Y\n0.132688 0.776402 0.923412 Y\n0.776402 0.643716 0.423413 Y\n0.356285 0.132688 0.423413 Y\n0.223598 0.356285 0.923412 Y\n0.867313 0.223599 0.423413 Y\n0.000000 0.000000 0.968324 Cu\n0.000000 0.000000 0.468324 Cu\n0.666667 0.333333 0.835166 Si\n0.333333 0.666667 0.335166 Si\n0.162846 0.262441 0.452096 Se\n0.837154 0.737560 0.952096 Se\n0.666667 0.333333 0.213268 Se\n0.521047 0.421591 0.679541 Se\n0.333333 0.666667 0.713268 Se\n0.900544 0.478954 0.679541 Se\n0.099457 0.521047 0.179541 Se\n0.421591 0.900544 0.179541 Se\n0.737560 0.900406 0.452096 Se\n0.900405 0.162847 0.952096 Se\n0.478954 0.578410 0.179541 Se\n0.262441 0.099595 0.952096 Se\n0.099595 0.837154 0.452096 Se\n0.578410 0.099457 0.679541 Se\n",
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{
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"formula_full": "V2 Co6 As2 O16",
"formula_reduced": "VCo3AsO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.275220511538462,
"spacegroup": 12
},
{
"id": "jvasp-14002",
"created_at": "2022-09-04T14:38:01.245071Z",
"updated_at": "2022-09-04T14:38:01.245089Z",
"structure_string": "Li1 Y1 Mo3 O8\n1.0\n2.908808 -5.038204 0.000000\n2.908808 5.038204 -0.000000\n0.000000 0.000000 5.181177\nLi Y Mo O\n1 1 3 8\ndirect\n0.666667 0.333333 0.304077 Li\n0.333333 0.666667 0.270957 Y\n0.853253 0.146747 0.746045 Mo\n0.293495 0.146747 0.746045 Mo\n0.853254 0.706506 0.746045 Mo\n0.666667 0.333333 0.944565 O\n0.672448 0.836224 0.977112 O\n0.163777 0.836224 0.977112 O\n0.163776 0.327552 0.977112 O\n0.000000 0.000000 0.469338 O\n0.977688 0.488845 0.529865 O\n0.511156 0.488845 0.529865 O\n0.511156 0.022313 0.529865 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Y",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O-Y",
"density": 5.594780789818879,
"density_atomic": 0.08560401281287072,
"volume": 151.8620397903289,
"volume_molar": 7.034881382446781,
"formula_full": "Li1 Y1 Mo3 O8",
"formula_reduced": "LiYMo3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 3.664939319230769,
"spacegroup": 156
}
]
}