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"density_atomic": 0.04351557342029543,
"volume": 551.5266860485981,
"volume_molar": 13.839047234504108,
"formula_full": "Pr6 Cu2 Sn2 S14",
"formula_reduced": "Pr3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.7316909750000002,
"spacegroup": 173
},
{
"id": "jvasp-96551",
"created_at": "2022-09-04T14:35:47.800426Z",
"updated_at": "2022-09-04T14:35:47.800454Z",
"structure_string": "Sm6 Cu2 Sn2 Se14\n1.0\n10.418123 0.000001 -0.000000\n-5.209062 9.022358 -0.000000\n0.000000 -0.000000 6.406027\nSm Cu Sn Se\n6 2 2 14\ndirect\n0.211397 0.357292 0.937770 Sm\n0.145894 0.788603 0.937770 Sm\n0.642708 0.854107 0.937770 Sm\n0.788603 0.642708 0.437770 Sm\n0.357292 0.145893 0.437770 Sm\n0.854106 0.211397 0.437770 Sm\n0.000000 0.000000 0.013730 Cu\n0.000000 0.000000 0.513730 Cu\n0.333333 0.666667 0.364217 Sn\n0.666667 0.333333 0.864217 Sn\n0.666667 0.333333 0.259507 Se\n0.079402 0.516241 0.186885 Se\n0.483759 0.563160 0.186885 Se\n0.262587 0.110757 0.991961 Se\n0.333333 0.666667 0.759507 Se\n0.110758 0.848169 0.491961 Se\n0.436840 0.920598 0.186885 Se\n0.889242 0.151831 0.991961 Se\n0.516241 0.436840 0.686886 Se\n0.920598 0.483759 0.686886 Se\n0.151831 0.262587 0.491961 Se\n0.737413 0.889243 0.491961 Se\n0.563160 0.079402 0.686886 Se\n0.848169 0.737413 0.991961 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sm-Sn",
"density": 6.541629797887502,
"density_atomic": 0.03985776265839336,
"volume": 602.1411739965292,
"volume_molar": 15.109078779994796,
"formula_full": "Sm6 Cu2 Sn2 Se14",
"formula_reduced": "Sm3CuSnSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.3428851951388887,
"spacegroup": 173
}
]
}