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"structure_string": "Pr4 U2 Te10\n1.0\n9.889750 0.018745 0.128928\n7.901108 5.948109 0.128928\n-0.017073 -0.005726 8.953247\nPr U Te\n4 2 10\ndirect\n0.249575 0.252360 0.267761 Pr\n0.580707 0.595717 0.259545 Pr\n0.747641 0.750424 0.732240 Pr\n0.404284 0.419293 0.740455 Pr\n0.933521 0.901745 0.262581 U\n0.098255 0.066480 0.737420 U\n0.244630 0.247761 0.636491 Te\n0.913948 0.921960 0.628933 Te\n0.592557 0.573123 0.636101 Te\n0.752239 0.755370 0.363510 Te\n0.426877 0.407444 0.363900 Te\n0.078039 0.086053 0.371068 Te\n0.420030 0.944746 0.997511 Te\n0.055254 0.579971 0.002490 Te\n0.753090 0.246910 0.000000 Te\n0.249374 0.750626 0.000000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pr",
"U",
"Te"
],
"chemical_system": "Pr-Te-U",
"density": 7.3192610318470095,
"density_atomic": 0.03045495746492376,
"volume": 525.3660268095224,
"volume_molar": 19.773926024805487,
"formula_full": "Pr4 U2 Te10",
"formula_reduced": "Pr2UTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8781955666666668,
"spacegroup": 5
},
{
"id": "jvasp-97625",
"created_at": "2022-09-04T14:35:53.726272Z",
"updated_at": "2022-09-04T14:35:53.726296Z",
"structure_string": "Nd6 Cu2 Ge2 S14\n1.0\n10.181208 -0.000000 0.000000\n-5.090604 8.817185 0.000000\n-0.000000 0.000000 5.851943\nNd Cu Ge S\n6 2 2 14\ndirect\n0.227972 0.870948 0.750536 Nd\n0.357023 0.227972 0.250537 Nd\n0.772028 0.129051 0.250537 Nd\n0.129051 0.357023 0.750536 Nd\n0.870949 0.642976 0.250537 Nd\n0.642977 0.772027 0.750536 Nd\n0.000000 0.000000 0.220472 Cu\n0.000000 0.000000 0.720471 Cu\n0.666667 0.333333 0.831794 Ge\n0.333333 0.666667 0.331794 Ge\n0.092610 0.254675 0.231981 S\n0.581544 0.479576 0.986608 S\n0.520424 0.101968 0.986608 S\n0.418456 0.520424 0.486609 S\n0.479576 0.898031 0.486609 S\n0.745326 0.837935 0.231981 S\n0.907390 0.745325 0.731981 S\n0.333333 0.666667 0.955054 S\n0.898032 0.418456 0.986608 S\n0.162065 0.907390 0.231981 S\n0.254675 0.162065 0.731981 S\n0.837935 0.092610 0.731981 S\n0.666667 0.333333 0.455054 S\n0.101969 0.581544 0.486609 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
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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
}
]
}