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"formula_full": "Pr6 Si2 Ag2 S14",
"formula_reduced": "Pr3SiAgS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.017897950833333,
"spacegroup": 173
},
{
"id": "jvasp-42053",
"created_at": "2022-09-04T14:37:45.658735Z",
"updated_at": "2022-09-04T14:37:45.658755Z",
"structure_string": "Pr6 Ag2 Ge2 S14\n1.0\n0.000000 10.376437 0.000116\n5.856562 0.000000 0.000000\n0.000000 -5.188279 -8.986472\nPr Ag Ge S\n6 2 2 14\ndirect\n0.874032 0.742638 0.233213 Pr\n0.125967 0.242639 0.766786 Pr\n0.359177 0.742635 0.125968 Pr\n0.766793 0.742645 0.640829 Pr\n0.233207 0.242645 0.359170 Pr\n0.640823 0.242635 0.874031 Pr\n0.000004 0.702587 -0.000001 Ag\n-0.000004 0.202587 0.000001 Ag\n0.666665 0.325108 0.333336 Ge\n0.333335 0.825108 0.666664 Ge\n0.825468 0.227456 0.730839 S\n0.269172 0.227457 0.094630 S\n0.094632 0.727447 0.825465 S\n0.905368 0.227447 0.174535 S\n0.479427 0.980950 0.585906 S\n0.106481 0.980950 0.520570 S\n0.333337 0.448183 0.666664 S\n0.520573 0.480951 0.414093 S\n0.414084 0.980944 0.893509 S\n0.585916 0.480944 0.106491 S\n0.174532 0.727455 0.269160 S\n0.666663 0.948183 0.333335 S\n0.893518 0.480950 0.479429 S\n0.730828 0.727457 0.905370 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Ag",
"Ge",
"S"
],
"chemical_system": "Ag-Ge-Pr-S",
"density": 5.033468555059284,
"density_atomic": 0.043947464134915515,
"volume": 546.1065950545349,
"volume_molar": 13.703044939094704,
"formula_full": "Pr6 Ag2 Ge2 S14",
"formula_reduced": "Pr3AgGeS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.7882060633333332,
"spacegroup": 173
}
]
}