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{
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{
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{
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{
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"chemical_system": "Cu-Ge-Nd-S",
"density": 5.015611329284471,
"density_atomic": 0.04568586911153082,
"volume": 525.3265499099929,
"volume_molar": 13.181626785513094,
"formula_full": "Nd6 Cu2 Ge2 S14",
"formula_reduced": "Nd3CuGeS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.7519825750000002,
"spacegroup": 173
},
{
"id": "jvasp-61421",
"created_at": "2022-09-04T14:35:50.360704Z",
"updated_at": "2022-09-04T14:35:50.360738Z",
"structure_string": "Y6 Al2 Ni2 S14\n1.0\n4.756406 -8.238336 0.000000\n4.756406 8.238336 0.000000\n0.000000 0.000000 6.187027\nY Al Ni S\n6 2 2 14\ndirect\n0.781787 0.623898 0.776305 Y\n0.842112 0.218214 0.776305 Y\n0.376103 0.157889 0.776305 Y\n0.218214 0.376103 0.276305 Y\n0.157889 0.781787 0.276305 Y\n0.623898 0.842112 0.276305 Y\n0.666668 0.333333 0.348023 Al\n0.333333 0.666668 0.848024 Al\n0.000000 0.000000 0.948975 Ni\n0.000000 0.000000 0.448975 Ni\n0.477175 0.564616 0.002364 S\n0.435385 0.912560 0.002364 S\n0.087441 0.522826 0.002364 S\n0.522826 0.435385 0.502365 S\n0.564616 0.087441 0.502365 S\n0.912560 0.477175 0.502365 S\n0.898137 0.131273 0.184193 S\n0.101864 0.868728 0.684193 S\n0.131273 0.233137 0.684193 S\n0.233137 0.101863 0.184193 S\n0.666668 0.333333 0.986424 S\n0.868728 0.766864 0.184193 S\n0.766864 0.898137 0.684193 S\n0.333333 0.666668 0.486424 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Al",
"Ni",
"S"
],
"chemical_system": "Al-Ni-S-Y",
"density": 3.951024051824092,
"density_atomic": 0.04949722094247034,
"volume": 484.8757070198898,
"volume_molar": 12.16662399490957,
"formula_full": "Y6 Al2 Ni2 S14",
"formula_reduced": "Y3AlNiS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.369004295833333,
"spacegroup": 173
}
]
}