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{
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{
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"structure_string": "Li3 Cr2 Ni2 O8\n1.0\n5.744299 0.057441 0.009437\n2.839463 5.001996 0.026795\n2.848220 1.694276 4.764575\nLi Cr Ni O\n3 2 2 8\ndirect\n0.000000 0.000001 0.500000 Li\n-0.000001 0.500000 0.000000 Li\n0.499999 0.500001 0.500000 Li\n0.499999 0.500000 0.000001 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Ni\n0.500000 -0.000000 0.000000 Ni\n0.711994 0.766464 0.764674 O\n0.732167 0.235591 0.779993 O\n0.255842 0.218594 0.773863 O\n0.752151 0.248264 0.233079 O\n0.247848 0.751737 0.766921 O\n0.744157 0.781407 0.226137 O\n0.267832 0.764411 0.220007 O\n0.288005 0.233537 0.235327 O\n",
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"created_at": "2022-09-04T14:36:04.712814Z",
"updated_at": "2022-09-04T14:36:04.712840Z",
"structure_string": "Na4 Sn2 C8 O16\n1.0\n5.467370 -0.000002 1.198625\n2.670525 5.208524 0.887364\n-0.009127 -0.148499 13.109832\nNa Sn C O\n4 2 8 16\ndirect\n0.826959 0.326886 0.051416 Na\n0.173040 0.673113 0.948585 Na\n0.205258 0.173114 0.448583 Na\n0.794741 0.826886 0.551417 Na\n0.853497 0.750004 0.250001 Sn\n0.146502 0.249995 0.749999 Sn\n0.600155 0.081868 0.888974 C\n0.399844 0.918132 0.111026 C\n0.686843 0.318922 0.364719 C\n0.571005 0.418127 0.611028 C\n0.629517 0.818914 0.864717 C\n0.370482 0.181085 0.135283 C\n0.313156 0.681078 0.635281 C\n0.428994 0.581872 0.388973 C\n0.601959 0.716252 0.140725 O\n0.333022 0.880475 0.598049 O\n0.902782 0.326003 0.312214 O\n0.097217 0.673996 0.687786 O\n0.458923 0.783754 0.359268 O\n0.232590 0.919404 0.060560 O\n0.767409 0.080595 0.939440 O\n0.541000 0.174002 0.187789 O\n0.811550 0.619517 0.901948 O\n0.398040 0.283747 0.859275 O\n0.459000 0.825997 0.812211 O\n0.212547 0.580600 0.439439 O\n0.188449 0.380483 0.098053 O\n0.666978 0.119524 0.401951 O\n0.541076 0.216246 0.640732 O\n0.787452 0.419399 0.560562 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Na",
"Sn",
"C",
"O"
],
"chemical_system": "C-Na-O-Sn",
"density": 3.028619425553646,
"density_atomic": 0.08029335949424114,
"volume": 373.62990151323385,
"volume_molar": 7.500172863525437,
"formula_full": "Na4 Sn2 C8 O16",
"formula_reduced": "Na2Sn(CO2)4",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.415696513333334,
"spacegroup": 15
},
{
"id": "jvasp-90796",
"created_at": "2022-09-04T14:35:52.660801Z",
"updated_at": "2022-09-04T14:35:52.660816Z",
"structure_string": "Ce1 Al4 Si2 Ir1\n1.0\n4.264424 -0.000000 -0.000000\n0.000000 4.264424 -0.000000\n0.000000 0.000000 7.982966\nCe Al Si Ir\n1 4 2 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.500000 0.830497 Al\n0.500000 0.000000 0.830497 Al\n0.000000 0.500000 0.169504 Al\n0.500000 0.000000 0.169504 Al\n0.500000 0.500000 0.642998 Si\n0.500000 0.500000 0.357002 Si\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ce",
"Al",
"Si",
"Ir"
],
"chemical_system": "Al-Ce-Ir-Si",
"density": 5.678350732002748,
"density_atomic": 0.05510676916218679,
"volume": 145.17272780871804,
"volume_molar": 10.928132517215829,
"formula_full": "Ce1 Al4 Si2 Ir1",
"formula_reduced": "CeAl4Si2Ir",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.804545625,
"spacegroup": 123
}
]
}