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"created_at": "2022-09-04T14:36:04.817514Z",
"updated_at": "2022-09-04T14:36:04.817541Z",
"structure_string": "Sm16 Si8 Se12 O28\n1.0\n10.126763 -0.011855 -4.582749\n-5.909419 9.210297 -1.949936\n-0.007606 0.011855 11.115433\nSm Si Se O\n16 8 12 28\ndirect\n0.010750 0.344063 0.333313 Sm\n0.989249 0.333313 0.822562 Sm\n0.095135 0.047568 0.297568 Sm\n0.250000 0.297568 0.702432 Sm\n0.250000 0.952433 0.047567 Sm\n0.904864 0.952433 0.702431 Sm\n0.750000 0.702432 0.297567 Sm\n0.749999 0.047568 0.952432 Sm\n0.404864 0.702433 0.952432 Sm\n0.010750 0.666688 0.177437 Sm\n0.489249 0.666688 0.655936 Sm\n0.489249 0.822563 0.333312 Sm\n0.989249 0.655937 0.666687 Sm\n0.510750 0.177438 0.666687 Sm\n0.510750 0.333313 0.344063 Sm\n0.595135 0.297567 0.047567 Sm\n0.125635 0.906887 0.532520 Si\n0.374365 0.467479 0.093114 Si\n0.625634 0.093114 0.218748 Si\n0.874365 0.093114 0.467479 Si\n0.874365 0.781252 0.906885 Si\n0.125635 0.218749 0.093114 Si\n0.374365 0.906887 0.781251 Si\n0.625634 0.532521 0.906885 Si\n0.645357 0.000000 0.645357 Se\n0.354642 0.354642 0.500000 Se\n0.145358 0.645358 -0.000000 Se\n0.145358 0.500000 0.645357 Se\n0.645357 0.645358 0.499999 Se\n0.854642 0.354642 -0.000000 Se\n0.854642 0.500000 0.354642 Se\n0.250000 0.625000 0.375000 Se\n0.750000 0.375000 0.624999 Se\n0.750000 0.875000 0.124999 Se\n0.354642 0.000000 0.354642 Se\n0.250000 0.125000 0.875000 Se\n0.978792 0.169095 0.647888 O\n0.521207 0.169095 0.190302 O\n0.521207 0.352112 0.830904 O\n0.978792 0.809697 0.830904 O\n0.478793 0.647888 0.169095 O\n0.478793 0.830905 0.809697 O\n0.021207 0.830905 0.352111 O\n0.770766 0.920230 0.431040 O\n0.250000 0.858063 0.608062 O\n0.750000 0.608063 0.858062 O\n0.750000 0.141937 0.391937 O\n0.021207 0.190303 0.169095 O\n0.729233 0.160274 0.149463 O\n0.489188 0.568959 0.839725 O\n0.010811 0.850537 0.079770 O\n0.989188 0.149463 0.920229 O\n0.510811 0.431041 0.160274 O\n0.510811 0.079770 0.850536 O\n0.989188 0.839726 0.568958 O\n0.770766 0.850537 0.839725 O\n0.229233 0.079770 0.568959 O\n0.270767 0.839726 0.850536 O\n0.270767 0.431042 0.920229 O\n0.229233 0.149463 0.160274 O\n0.010811 0.160275 0.431041 O\n0.489188 0.920230 0.149463 O\n0.729233 0.568959 0.079770 O\n0.250000 0.391938 0.141937 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Sm",
"Si",
"Se",
"O"
],
"chemical_system": "O-Se-Si-Sm",
"density": 6.451709037865443,
"density_atomic": 0.06176430726287385,
"volume": 1036.1971636403346,
"volume_molar": 9.750195585241952,
"formula_full": "Sm16 Si8 Se12 O28",
"formula_reduced": "Sm4Si2Se3O7",
"formula_anonymous": "A2B3C4D7",
"energy_above_hull": 2.42034045625,
"spacegroup": 141
}
]
}