HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-spacegroup&page=63",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-spacegroup&page=61",
"results": [
{
"id": "oqmd-1282624",
"created_at": "2022-09-04T15:42:24.807429Z",
"updated_at": "2022-09-04T15:42:24.807452Z",
"structure_string": "Li12 Mo12 Se8 O48\n1.0\n9.648195 0.000000 0.000000\n-3.216065 9.096406 0.000000\n-3.216065 -4.548203 7.877718\nLi Mo O Se\n12 12 48 8\ndirect\n0.875000 0.750000 0.125000 Li\n0.749999 0.374999 0.125001 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625001 0.250000 0.375000 Li\n0.375000 0.749999 0.624999 Li\n0.749999 0.874999 0.625001 Li\n0.374999 0.125001 0.749999 Li\n0.874999 0.625001 0.749999 Li\n0.125000 0.249999 0.874999 Li\n0.250000 0.625000 0.875000 Li\n0.375000 0.250000 0.125000 Mo\n0.249999 0.874999 0.125000 Mo\n0.874999 0.125000 0.249999 Mo\n0.375000 0.625001 0.250000 Mo\n0.125001 0.749999 0.374999 Mo\n0.749999 0.624999 0.375000 Mo\n0.875000 0.250000 0.625000 Mo\n0.250000 0.375000 0.625001 Mo\n0.624999 0.375000 0.749999 Mo\n0.125000 0.875000 0.750000 Mo\n0.625001 0.749999 0.874999 Mo\n0.750000 0.125000 0.875000 Mo\n0.329212 0.407686 0.023935 O\n0.194723 0.616249 0.023936 O\n0.694723 0.170787 0.078474 O\n0.883752 0.907687 0.078474 O\n0.616248 0.921526 0.092312 O\n0.976064 0.170787 0.092314 O\n0.592313 0.421526 0.116248 O\n0.023936 0.694723 0.116249 O\n0.476064 0.092312 0.170786 O\n0.194723 0.078474 0.170787 O\n0.116248 0.523936 0.194723 O\n0.578473 0.670786 0.194723 O\n0.476064 0.883750 0.305277 O\n0.329214 0.421526 0.305277 O\n0.907687 0.523936 0.329212 O\n0.921526 0.805277 0.329214 O\n0.305277 0.976064 0.383751 O\n0.578474 0.407688 0.383752 O\n0.078474 0.383751 0.407686 O\n0.829213 0.023936 0.407687 O\n0.092312 0.116248 0.421526 O\n0.829213 0.305277 0.421527 O\n0.592313 0.670787 0.476064 O\n0.383751 0.805276 0.476065 O\n0.616249 0.194723 0.523936 O\n0.407688 0.329214 0.523936 O\n0.907687 0.883751 0.578474 O\n0.170787 0.694723 0.578475 O\n0.170786 0.976064 0.592312 O\n0.921527 0.616249 0.592313 O\n0.694722 0.023935 0.616248 O\n0.421526 0.592313 0.616249 O\n0.092313 0.476064 0.670786 O\n0.078474 0.194723 0.670787 O\n0.523936 0.116248 0.694723 O\n0.670787 0.578474 0.694723 O\n0.421526 0.329212 0.805276 O\n0.883751 0.476064 0.805276 O\n0.523936 0.907687 0.829213 O\n0.805276 0.921527 0.829213 O\n0.407686 0.578473 0.883750 O\n0.976064 0.305277 0.883752 O\n0.383751 0.078474 0.907687 O\n0.023935 0.829213 0.907687 O\n0.305277 0.829214 0.921526 O\n0.116250 0.092314 0.921527 O\n0.805277 0.383752 0.976064 O\n0.670786 0.592313 0.976064 O\n0.000000 0.000000 0.000000 Se\n0.500001 0.000000 0.000000 Se\n0.499999 0.499999 0.000000 Se\n0.000000 0.500001 0.000000 Se\n0.499999 0.000000 0.499999 Se\n0.000000 0.499999 0.499999 Se\n0.000000 0.000000 0.500001 Se\n0.500001 0.500001 0.500001 Se\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Mo",
"O",
"Se"
],
"chemical_system": "Li-Mo-O-Se",
"density": 6.326817819547005,
"density_atomic": 0.11571073395862654,
"volume": 691.3792460136391,
"volume_molar": 5.204478922546004,
"formula_full": "Li12 Mo12 Se8 O48",
"formula_reduced": "Li3Mo3(SeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.52645759540225,
"spacegroup": 230
},
{
"id": "oqmd-1282702",
"created_at": "2022-09-04T15:42:24.818593Z",
"updated_at": "2022-09-04T15:42:24.818621Z",
"structure_string": "Li12 Y12 Os8 O48\n1.0\n-5.769116 5.769116 5.769116\n5.769116 -5.769116 5.769116\n5.769116 5.769116 -5.769116\nLi O Os Y\n12 48 8 12\ndirect\n0.875000 0.250000 0.125000 Li\n0.750000 0.875000 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.125000 0.875000 0.250000 Li\n0.250000 0.625000 0.375000 Li\n0.625000 0.750000 0.375000 Li\n0.375000 0.250000 0.625000 Li\n0.750000 0.375000 0.625000 Li\n0.875000 0.125000 0.750000 Li\n0.375000 0.625000 0.750000 Li\n0.250000 0.125000 0.875000 Li\n0.125000 0.750000 0.875000 Li\n0.199973 0.119656 0.026895 O\n0.326922 0.907239 0.026895 O\n0.880344 0.407239 0.080317 O\n0.699973 0.673078 0.080317 O\n0.619656 0.419683 0.092761 O\n0.973105 0.673078 0.092761 O\n0.026895 0.199973 0.119656 O\n0.592761 0.919683 0.119656 O\n0.199973 0.580317 0.173078 O\n0.473105 0.592761 0.173078 O\n0.119656 0.026895 0.199973 O\n0.580317 0.173078 0.199973 O\n0.473105 0.380344 0.300027 O\n0.326922 0.919683 0.300027 O\n0.907239 0.026895 0.326922 O\n0.919683 0.300027 0.326922 O\n0.300027 0.473105 0.380344 O\n0.580317 0.907239 0.380344 O\n0.826922 0.526895 0.407239 O\n0.080317 0.880344 0.407239 O\n0.092761 0.619656 0.419683 O\n0.826922 0.800027 0.419683 O\n0.592761 0.173078 0.473105 O\n0.380344 0.300027 0.473105 O\n0.619656 0.699973 0.526895 O\n0.407239 0.826922 0.526895 O\n0.173078 0.199973 0.580317 O\n0.907239 0.380344 0.580317 O\n0.919683 0.119656 0.592761 O\n0.173078 0.473105 0.592761 O\n0.419683 0.092761 0.619656 O\n0.699973 0.526895 0.619656 O\n0.080317 0.699973 0.673078 O\n0.092761 0.973105 0.673078 O\n0.673078 0.080317 0.699973 O\n0.526895 0.619656 0.699973 O\n0.419683 0.826922 0.800027 O\n0.880344 0.973105 0.800027 O\n0.526895 0.407239 0.826922 O\n0.800027 0.419683 0.826922 O\n0.407239 0.080317 0.880344 O\n0.973105 0.800027 0.880344 O\n0.026895 0.326922 0.907239 O\n0.380344 0.580317 0.907239 O\n0.300027 0.326922 0.919683 O\n0.119656 0.592761 0.919683 O\n0.673078 0.092761 0.973105 O\n0.800027 0.880344 0.973105 O\n0.000000 0.000000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.500000 Os\n0.250000 0.375000 0.125000 Y\n0.375000 0.750000 0.125000 Y\n0.375000 0.125000 0.250000 Y\n0.875000 0.625000 0.250000 Y\n0.750000 0.125000 0.375000 Y\n0.125000 0.250000 0.375000 Y\n0.875000 0.750000 0.625000 Y\n0.250000 0.875000 0.625000 Y\n0.125000 0.375000 0.750000 Y\n0.625000 0.875000 0.750000 Y\n0.625000 0.250000 0.875000 Y\n0.750000 0.625000 0.875000 Y\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Os",
"Y"
],
"chemical_system": "Li-O-Os-Y",
"density": 7.437318428482965,
"density_atomic": 0.10416029023653355,
"volume": 768.0470150220503,
"volume_molar": 5.781609043450778,
"formula_full": "Li12 Y12 Os8 O48",
"formula_reduced": "Li3Y3(OsO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.46571072040225,
"spacegroup": 230
},
{
"id": "oqmd-1282707",
"created_at": "2022-09-04T15:42:24.825809Z",
"updated_at": "2022-09-04T15:42:24.825831Z",
"structure_string": "Li12 Yb12 Ir8 O48\n1.0\n10.032333 0.000000 0.000000\n-3.344111 9.458574 0.000000\n-3.344111 -4.729287 8.191365\nIr Li O Yb\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500001 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500001 Ir\n0.500001 0.500001 0.500001 Ir\n0.875000 0.750000 0.124999 Li\n0.750001 0.375001 0.125001 Li\n0.124999 0.375000 0.250001 Li\n0.625000 0.875000 0.250001 Li\n0.250001 0.124999 0.375000 Li\n0.625001 0.250001 0.375000 Li\n0.375000 0.750001 0.625000 Li\n0.750001 0.875000 0.625001 Li\n0.375001 0.125001 0.750001 Li\n0.875000 0.625001 0.750001 Li\n0.124999 0.250000 0.875000 Li\n0.250001 0.625000 0.875000 Li\n0.327706 0.409569 0.025880 O\n0.198174 0.616313 0.025880 O\n0.698175 0.172294 0.081862 O\n0.883688 0.909568 0.081863 O\n0.974120 0.172295 0.090432 O\n0.616312 0.918138 0.090432 O\n0.590432 0.418138 0.116312 O\n0.025880 0.698175 0.116312 O\n0.474120 0.090432 0.172294 O\n0.198175 0.081863 0.172295 O\n0.116312 0.525881 0.198174 O\n0.581863 0.672295 0.198175 O\n0.474120 0.883688 0.301825 O\n0.327707 0.418138 0.301826 O\n0.909568 0.525880 0.327706 O\n0.918138 0.801826 0.327707 O\n0.581862 0.409569 0.383688 O\n0.301825 0.974120 0.383688 O\n0.827707 0.025880 0.409569 O\n0.081863 0.383688 0.409569 O\n0.827705 0.301825 0.418137 O\n0.090432 0.116312 0.418138 O\n0.590432 0.672294 0.474120 O\n0.383688 0.801826 0.474120 O\n0.616312 0.198175 0.525880 O\n0.409569 0.327707 0.525881 O\n0.172295 0.698175 0.581862 O\n0.909569 0.883688 0.581862 O\n0.172294 0.974119 0.590431 O\n0.918137 0.616312 0.590432 O\n0.698175 0.025880 0.616312 O\n0.418138 0.590432 0.616313 O\n0.081862 0.198174 0.672294 O\n0.090432 0.474120 0.672295 O\n0.525880 0.116312 0.698175 O\n0.672294 0.581862 0.698175 O\n0.418138 0.327706 0.801826 O\n0.883688 0.474120 0.801826 O\n0.801826 0.918137 0.827705 O\n0.525881 0.909569 0.827707 O\n0.974120 0.301826 0.883688 O\n0.409569 0.581863 0.883688 O\n0.025880 0.827705 0.909568 O\n0.383688 0.081862 0.909569 O\n0.116311 0.090432 0.918137 O\n0.301826 0.827706 0.918138 O\n0.801826 0.383688 0.974119 O\n0.672295 0.590432 0.974120 O\n0.375000 0.250001 0.124999 Yb\n0.250000 0.875000 0.124999 Yb\n0.875000 0.124999 0.250000 Yb\n0.375000 0.625001 0.250001 Yb\n0.750001 0.625000 0.375000 Yb\n0.125001 0.750001 0.375001 Yb\n0.875000 0.250001 0.625000 Yb\n0.250001 0.375000 0.625001 Yb\n0.124999 0.875000 0.750000 Yb\n0.625000 0.375000 0.750001 Yb\n0.750000 0.124999 0.875000 Yb\n0.625001 0.750001 0.875000 Yb\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ir",
"Li",
"O",
"Yb"
],
"chemical_system": "Ir-Li-O-Yb",
"density": 9.539668536361269,
"density_atomic": 0.10292149921928015,
"volume": 777.2914367439928,
"volume_molar": 5.851198054518702,
"formula_full": "Li12 Yb12 Ir8 O48",
"formula_reduced": "Li3Yb3(IrO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.02568326890225,
"spacegroup": 230
},
{
"id": "oqmd-1282646",
"created_at": "2022-09-04T15:42:24.828222Z",
"updated_at": "2022-09-04T15:42:24.828257Z",
"structure_string": "Li12 Re8 Bi12 O48\n1.0\n10.749145 0.000000 0.000000\n-3.583048 10.134391 0.000000\n-3.583048 -5.067196 8.776640\nBi Li O Re\n12 12 48 8\ndirect\n0.375000 0.250000 0.125000 Bi\n0.250001 0.875001 0.125001 Bi\n0.375000 0.625000 0.250000 Bi\n0.875001 0.125001 0.250001 Bi\n0.750000 0.625000 0.375000 Bi\n0.125000 0.750000 0.375000 Bi\n0.875000 0.250000 0.625000 Bi\n0.250000 0.375000 0.625000 Bi\n0.625000 0.375000 0.750000 Bi\n0.125000 0.875000 0.750000 Bi\n0.750000 0.125000 0.875000 Bi\n0.625000 0.750000 0.875001 Bi\n0.750000 0.375000 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875001 0.625000 Li\n0.375000 0.125000 0.750000 Li\n0.875001 0.625000 0.750000 Li\n0.250000 0.625000 0.875000 Li\n0.125001 0.250001 0.875001 Li\n0.325952 0.409770 0.022957 O\n0.197005 0.613186 0.022957 O\n0.697005 0.174048 0.083818 O\n0.886813 0.909770 0.083818 O\n0.977043 0.174048 0.090230 O\n0.613187 0.916181 0.090230 O\n0.022956 0.697005 0.113186 O\n0.590230 0.416182 0.113187 O\n0.197005 0.083818 0.174048 O\n0.477043 0.090230 0.174049 O\n0.113187 0.522957 0.197005 O\n0.583819 0.674049 0.197005 O\n0.325951 0.416181 0.302994 O\n0.477043 0.886814 0.302995 O\n0.916181 0.802994 0.325951 O\n0.909771 0.522957 0.325952 O\n0.583819 0.409770 0.386813 O\n0.302995 0.977043 0.386813 O\n0.825951 0.022957 0.409770 O\n0.083818 0.386813 0.409770 O\n0.090230 0.113187 0.416181 O\n0.825951 0.302995 0.416181 O\n0.590229 0.674049 0.477043 O\n0.386813 0.802995 0.477043 O\n0.613186 0.197005 0.522957 O\n0.409770 0.325951 0.522957 O\n0.174048 0.697006 0.583819 O\n0.909770 0.886814 0.583819 O\n0.916181 0.613186 0.590230 O\n0.174049 0.977043 0.590230 O\n0.416181 0.590229 0.613186 O\n0.697006 0.022957 0.613187 O\n0.083819 0.197005 0.674049 O\n0.090230 0.477043 0.674049 O\n0.674049 0.583819 0.697005 O\n0.522957 0.113187 0.697006 O\n0.886814 0.477043 0.802994 O\n0.416182 0.325952 0.802995 O\n0.522957 0.909770 0.825951 O\n0.802995 0.916181 0.825951 O\n0.977043 0.302994 0.886813 O\n0.409770 0.583819 0.886814 O\n0.386813 0.083818 0.909770 O\n0.022957 0.825951 0.909770 O\n0.113186 0.090230 0.916181 O\n0.302994 0.825951 0.916181 O\n0.802994 0.386813 0.977043 O\n0.674049 0.590230 0.977043 O\n0.000000 0.000000 0.000000 Re\n0.499999 0.000000 0.000000 Re\n0.000000 0.499999 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.499999 Re\n0.499999 0.499999 0.499999 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Bi",
"Li",
"O",
"Re"
],
"chemical_system": "Bi-Li-O-Re",
"density": 8.421183218746588,
"density_atomic": 0.08367392179249851,
"volume": 956.0923915863607,
"volume_molar": 7.1971537021226295,
"formula_full": "Li12 Re8 Bi12 O48",
"formula_reduced": "Li3Re2(BiO4)3",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.83249689052725,
"spacegroup": 230
},
{
"id": "oqmd-1282678",
"created_at": "2022-09-04T15:42:24.830905Z",
"updated_at": "2022-09-04T15:42:24.830935Z",
"structure_string": "Li12 Te8 Mo12 O48\n1.0\n9.914856 0.000000 0.000000\n-3.304952 9.347816 0.000000\n-3.304952 -4.673908 8.095446\nLi Mo O Te\n12 12 48 8\ndirect\n0.749999 0.375000 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375001 Li\n0.375000 0.749999 0.625000 Li\n0.749999 0.875000 0.625000 Li\n0.375000 0.125000 0.749999 Li\n0.875000 0.625000 0.749999 Li\n0.125001 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.375000 0.250000 0.125000 Mo\n0.250000 0.875000 0.125001 Mo\n0.875000 0.125001 0.250000 Mo\n0.375001 0.625000 0.250000 Mo\n0.749999 0.625000 0.375000 Mo\n0.125000 0.749999 0.375000 Mo\n0.875000 0.250000 0.625000 Mo\n0.250000 0.375001 0.625000 Mo\n0.625000 0.375000 0.749999 Mo\n0.125000 0.875000 0.750000 Mo\n0.750000 0.125000 0.875000 Mo\n0.625000 0.749999 0.875000 Mo\n0.324483 0.407536 0.029496 O\n0.205013 0.621961 0.029496 O\n0.705013 0.175517 0.083052 O\n0.878041 0.907536 0.083053 O\n0.621960 0.916947 0.092464 O\n0.970505 0.175517 0.092465 O\n0.592464 0.416948 0.121959 O\n0.029496 0.705013 0.121960 O\n0.205012 0.083053 0.175517 O\n0.470504 0.092464 0.175517 O\n0.121960 0.529496 0.205012 O\n0.583052 0.675516 0.205012 O\n0.324484 0.416948 0.294987 O\n0.470504 0.878040 0.294987 O\n0.907535 0.529495 0.324483 O\n0.916948 0.794988 0.324484 O\n0.583052 0.407536 0.378040 O\n0.294988 0.970505 0.378040 O\n0.824483 0.029496 0.407536 O\n0.083053 0.378040 0.407536 O\n0.092464 0.121960 0.416948 O\n0.824483 0.294987 0.416948 O\n0.592464 0.675517 0.470504 O\n0.378040 0.794988 0.470505 O\n0.621960 0.205012 0.529496 O\n0.407536 0.324484 0.529496 O\n0.175517 0.705012 0.583052 O\n0.907535 0.878040 0.583052 O\n0.916948 0.621960 0.592464 O\n0.175517 0.970505 0.592464 O\n0.705013 0.029496 0.621960 O\n0.416948 0.592464 0.621961 O\n0.092464 0.470504 0.675516 O\n0.083053 0.205013 0.675517 O\n0.529495 0.121959 0.705012 O\n0.675517 0.583052 0.705013 O\n0.878040 0.470504 0.794987 O\n0.416948 0.324483 0.794988 O\n0.529496 0.907535 0.824483 O\n0.794988 0.916948 0.824483 O\n0.970504 0.294987 0.878040 O\n0.407536 0.583052 0.878040 O\n0.378039 0.083052 0.907535 O\n0.029496 0.824483 0.907536 O\n0.294987 0.824483 0.916947 O\n0.121960 0.092465 0.916948 O\n0.794988 0.378040 0.970505 O\n0.675516 0.592464 0.970505 O\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.500000 0.500000 Te\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Mo",
"O",
"Te"
],
"chemical_system": "Li-Mo-O-Te",
"density": 6.691125884412618,
"density_atomic": 0.1066234278205328,
"volume": 750.3041464269464,
"volume_molar": 5.648046478243403,
"formula_full": "Li12 Te8 Mo12 O48",
"formula_reduced": "Li3Te2(MoO4)3",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.60001547798558,
"spacegroup": 230
},
{
"id": "oqmd-1282696",
"created_at": "2022-09-04T15:42:24.834525Z",
"updated_at": "2022-09-04T15:42:24.834559Z",
"structure_string": "Li12 V12 Te8 O48\n1.0\n9.771668 0.000000 0.000000\n-3.257223 9.212817 0.000000\n-3.257223 -4.606408 7.978533\nLi O Te V\n12 48 8 12\ndirect\n0.749999 0.375000 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375001 Li\n0.375000 0.749999 0.625000 Li\n0.749999 0.875000 0.625000 Li\n0.375000 0.125000 0.749999 Li\n0.875000 0.625000 0.749999 Li\n0.125001 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.324483 0.407536 0.029496 O\n0.205013 0.621961 0.029496 O\n0.705013 0.175517 0.083052 O\n0.878041 0.907536 0.083053 O\n0.621960 0.916947 0.092464 O\n0.970505 0.175517 0.092465 O\n0.592464 0.416948 0.121959 O\n0.029496 0.705013 0.121960 O\n0.205012 0.083053 0.175517 O\n0.470504 0.092464 0.175517 O\n0.121960 0.529496 0.205012 O\n0.583052 0.675516 0.205012 O\n0.324484 0.416948 0.294987 O\n0.470504 0.878040 0.294987 O\n0.907535 0.529495 0.324483 O\n0.916948 0.794988 0.324484 O\n0.583052 0.407536 0.378040 O\n0.294988 0.970505 0.378040 O\n0.824483 0.029496 0.407536 O\n0.083053 0.378040 0.407536 O\n0.092464 0.121960 0.416948 O\n0.824483 0.294987 0.416948 O\n0.592464 0.675517 0.470504 O\n0.378040 0.794988 0.470505 O\n0.621960 0.205012 0.529496 O\n0.407536 0.324484 0.529496 O\n0.175517 0.705012 0.583052 O\n0.907535 0.878040 0.583052 O\n0.916948 0.621960 0.592464 O\n0.175517 0.970505 0.592464 O\n0.705013 0.029496 0.621960 O\n0.416948 0.592464 0.621961 O\n0.092464 0.470504 0.675516 O\n0.083053 0.205013 0.675517 O\n0.529495 0.121959 0.705012 O\n0.675517 0.583052 0.705013 O\n0.878040 0.470504 0.794987 O\n0.416948 0.324483 0.794988 O\n0.529496 0.907535 0.824483 O\n0.794988 0.916948 0.824483 O\n0.970504 0.294987 0.878040 O\n0.407536 0.583052 0.878040 O\n0.378039 0.083052 0.907535 O\n0.029496 0.824483 0.907536 O\n0.294987 0.824483 0.916947 O\n0.121960 0.092465 0.916948 O\n0.794988 0.378040 0.970505 O\n0.675516 0.592464 0.970505 O\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.500000 0.500000 Te\n0.375000 0.250000 0.125000 V\n0.250000 0.875000 0.125001 V\n0.875000 0.125001 0.250000 V\n0.375001 0.625000 0.250000 V\n0.749999 0.625000 0.375000 V\n0.125000 0.749999 0.375000 V\n0.875000 0.250000 0.625000 V\n0.250000 0.375001 0.625000 V\n0.625000 0.375000 0.749999 V\n0.125000 0.875000 0.750000 V\n0.750000 0.125000 0.875000 V\n0.625000 0.749999 0.875000 V\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Te",
"V"
],
"chemical_system": "Li-O-Te-V",
"density": 5.741228017735435,
"density_atomic": 0.11137963585806773,
"volume": 718.264154696509,
"volume_molar": 5.4068598030559905,
"formula_full": "Li12 V12 Te8 O48",
"formula_reduced": "Li3V3(TeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.98246876002828,
"spacegroup": 230
},
{
"id": "oqmd-1282693",
"created_at": "2022-09-04T15:42:24.835418Z",
"updated_at": "2022-09-04T15:42:24.835449Z",
"structure_string": "Li12 Tm12 W8 O48\n1.0\n10.511773 0.000000 0.000000\n-3.503924 9.910595 0.000000\n-3.503924 -4.955297 8.582827\nLi O Tm W\n12 48 12 8\ndirect\n0.750000 0.375000 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625001 0.250000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875000 0.625001 Li\n0.375000 0.125000 0.750000 Li\n0.875000 0.625001 0.750000 Li\n0.125000 0.249999 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.200614 0.616944 0.026422 O\n0.325808 0.409478 0.026422 O\n0.700614 0.174192 0.083669 O\n0.883055 0.909477 0.083669 O\n0.973578 0.174192 0.090523 O\n0.616945 0.916331 0.090523 O\n0.590523 0.416331 0.116945 O\n0.026422 0.700614 0.116945 O\n0.200614 0.083669 0.174191 O\n0.473578 0.090523 0.174192 O\n0.116945 0.526421 0.200614 O\n0.583670 0.674192 0.200614 O\n0.325807 0.416330 0.299386 O\n0.473578 0.883056 0.299386 O\n0.916331 0.799386 0.325807 O\n0.909477 0.526422 0.325808 O\n0.583669 0.409477 0.383055 O\n0.299387 0.973578 0.383056 O\n0.825808 0.026422 0.409478 O\n0.083669 0.383055 0.409478 O\n0.090523 0.116945 0.416330 O\n0.825808 0.299386 0.416330 O\n0.590523 0.674192 0.473578 O\n0.383055 0.799386 0.473578 O\n0.409477 0.325807 0.526421 O\n0.616944 0.200614 0.526422 O\n0.174191 0.700614 0.583669 O\n0.909477 0.883056 0.583669 O\n0.916331 0.616944 0.590523 O\n0.174192 0.973578 0.590523 O\n0.416330 0.590523 0.616944 O\n0.700614 0.026422 0.616945 O\n0.083669 0.200614 0.674192 O\n0.090522 0.473578 0.674192 O\n0.526422 0.116945 0.700614 O\n0.674192 0.583669 0.700614 O\n0.416331 0.325808 0.799386 O\n0.883056 0.473578 0.799386 O\n0.526421 0.909477 0.825808 O\n0.799386 0.916331 0.825808 O\n0.973578 0.299386 0.883055 O\n0.409478 0.583670 0.883056 O\n0.383056 0.083669 0.909477 O\n0.026422 0.825808 0.909477 O\n0.116945 0.090523 0.916331 O\n0.299386 0.825808 0.916331 O\n0.799386 0.383055 0.973578 O\n0.674192 0.590523 0.973578 O\n0.375000 0.250000 0.125000 Tm\n0.249999 0.875000 0.125000 Tm\n0.875000 0.125000 0.249999 Tm\n0.375000 0.625001 0.250000 Tm\n0.125000 0.750000 0.375000 Tm\n0.750000 0.625000 0.375000 Tm\n0.875000 0.250000 0.625000 Tm\n0.250000 0.375000 0.625001 Tm\n0.625000 0.375000 0.750000 Tm\n0.125000 0.875000 0.750000 Tm\n0.750000 0.125000 0.875000 Tm\n0.625001 0.750000 0.875000 Tm\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.500000 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Tm",
"W"
],
"chemical_system": "Li-O-Tm-W",
"density": 8.077031717089012,
"density_atomic": 0.08947133665980521,
"volume": 894.1411069355335,
"volume_molar": 6.730804506584993,
"formula_full": "Li12 Tm12 W8 O48",
"formula_reduced": "Li3Tm3(WO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -3.01103432177725,
"spacegroup": 230
},
{
"id": "oqmd-1282697",
"created_at": "2022-09-04T15:42:24.840809Z",
"updated_at": "2022-09-04T15:42:24.840832Z",
"structure_string": "Li12 W12 Se8 O48\n1.0\n9.678430 0.000000 0.000000\n-3.226143 9.124911 0.000000\n-3.226143 -4.562456 7.902405\nLi O Se W\n12 48 8 12\ndirect\n0.750000 0.374999 0.124999 Li\n0.875000 0.750000 0.125001 Li\n0.125001 0.375000 0.250000 Li\n0.625001 0.875000 0.250000 Li\n0.250000 0.125001 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.750000 0.875000 0.625000 Li\n0.375000 0.750000 0.625001 Li\n0.374999 0.124999 0.750000 Li\n0.875000 0.625000 0.750000 Li\n0.125001 0.250000 0.875000 Li\n0.250000 0.625001 0.875000 Li\n0.331998 0.409099 0.016535 O\n0.184537 0.607436 0.016535 O\n0.684537 0.168002 0.077101 O\n0.892564 0.909099 0.077102 O\n0.983465 0.168002 0.090901 O\n0.607435 0.922898 0.090901 O\n0.590900 0.422898 0.107435 O\n0.016535 0.684537 0.107436 O\n0.184537 0.077102 0.168002 O\n0.483465 0.090901 0.168002 O\n0.107436 0.516535 0.184537 O\n0.577102 0.668002 0.184537 O\n0.483465 0.892564 0.315463 O\n0.331998 0.422899 0.315463 O\n0.909099 0.516535 0.331998 O\n0.922899 0.815463 0.331998 O\n0.577101 0.409099 0.392564 O\n0.315463 0.983465 0.392565 O\n0.831998 0.016535 0.409099 O\n0.077102 0.392564 0.409099 O\n0.831998 0.315463 0.422898 O\n0.090901 0.107436 0.422899 O\n0.590901 0.668002 0.483465 O\n0.392564 0.815463 0.483465 O\n0.607435 0.184537 0.516535 O\n0.409099 0.331998 0.516535 O\n0.909099 0.892564 0.577101 O\n0.168002 0.684537 0.577102 O\n0.922898 0.607435 0.590900 O\n0.168002 0.983465 0.590901 O\n0.684537 0.016535 0.607436 O\n0.422899 0.590901 0.607436 O\n0.077101 0.184537 0.668002 O\n0.090900 0.483465 0.668002 O\n0.516535 0.107435 0.684537 O\n0.668002 0.577101 0.684537 O\n0.422898 0.331998 0.815463 O\n0.892564 0.483465 0.815463 O\n0.815463 0.922898 0.831998 O\n0.516535 0.909099 0.831998 O\n0.983465 0.315463 0.892564 O\n0.409099 0.577102 0.892564 O\n0.392564 0.077101 0.909099 O\n0.016535 0.831998 0.909099 O\n0.107436 0.090901 0.922898 O\n0.315463 0.831998 0.922898 O\n0.815463 0.392564 0.983465 O\n0.668002 0.590900 0.983465 O\n0.000000 0.000000 0.000000 Se\n0.499999 0.000000 0.000000 Se\n0.000000 0.499999 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.499999 Se\n0.499999 0.499999 0.499999 Se\n0.500000 0.000000 0.500000 Se\n0.000000 0.500000 0.500000 Se\n0.375000 0.250000 0.125001 W\n0.250000 0.875000 0.125001 W\n0.375000 0.625000 0.250000 W\n0.875000 0.125001 0.250000 W\n0.124999 0.750000 0.374999 W\n0.750000 0.625001 0.375000 W\n0.250000 0.375000 0.625000 W\n0.875000 0.250000 0.625001 W\n0.625001 0.375000 0.750000 W\n0.125001 0.875000 0.750000 W\n0.750000 0.125001 0.875000 W\n0.625000 0.750000 0.875000 W\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Se",
"W"
],
"chemical_system": "Li-O-Se-W",
"density": 8.777435560047884,
"density_atomic": 0.11462969920645598,
"volume": 697.8994148446162,
"volume_molar": 5.25356064064489,
"formula_full": "Li12 W12 Se8 O48",
"formula_reduced": "Li3W3(SeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.50782066615225,
"spacegroup": 230
},
{
"id": "oqmd-1282676",
"created_at": "2022-09-04T15:42:24.856634Z",
"updated_at": "2022-09-04T15:42:24.856662Z",
"structure_string": "Li12 Te8 As12 O48\n1.0\n8.501261 4.908205 3.470625\n-8.501261 4.908205 3.470625\n0.000000 -9.816410 3.470625\nAs Li O Te\n12 12 48 8\ndirect\n0.250000 0.374999 0.125000 As\n0.375001 0.750001 0.125001 As\n0.375000 0.125000 0.249999 As\n0.875000 0.625000 0.249999 As\n0.125000 0.249999 0.375000 As\n0.750001 0.125001 0.375001 As\n0.249999 0.875000 0.625000 As\n0.875001 0.750000 0.625000 As\n0.125001 0.375001 0.750001 As\n0.625000 0.875000 0.750001 As\n0.625000 0.249999 0.875000 As\n0.750001 0.625000 0.875000 As\n0.750000 0.874999 0.125000 Li\n0.875001 0.250001 0.125001 Li\n0.625000 0.375001 0.250000 Li\n0.125001 0.875001 0.250001 Li\n0.625000 0.750001 0.375000 Li\n0.250000 0.625000 0.375001 Li\n0.375001 0.250000 0.625000 Li\n0.750001 0.375000 0.625000 Li\n0.874999 0.125000 0.750000 Li\n0.375000 0.625000 0.750001 Li\n0.125000 0.750000 0.874999 Li\n0.250001 0.125001 0.875001 Li\n0.191801 0.114270 0.020835 O\n0.329034 0.906566 0.020835 O\n0.691801 0.670966 0.077532 O\n0.885730 0.406566 0.077532 O\n0.614269 0.422469 0.093434 O\n0.979165 0.670966 0.093435 O\n0.020836 0.191801 0.114269 O\n0.593435 0.922468 0.114269 O\n0.479164 0.593434 0.170965 O\n0.191801 0.577532 0.170966 O\n0.114270 0.020835 0.191801 O\n0.577532 0.170966 0.191801 O\n0.479164 0.385731 0.308199 O\n0.329035 0.922469 0.308199 O\n0.906566 0.020835 0.329034 O\n0.922469 0.308199 0.329035 O\n0.308199 0.479164 0.385731 O\n0.577532 0.906566 0.385731 O\n0.829034 0.520836 0.406566 O\n0.077532 0.885730 0.406566 O\n0.829034 0.808199 0.422468 O\n0.093434 0.614269 0.422469 O\n0.593434 0.170965 0.479164 O\n0.385731 0.308199 0.479164 O\n0.614269 0.691801 0.520835 O\n0.406566 0.829034 0.520836 O\n0.906567 0.385731 0.577532 O\n0.170966 0.191801 0.577532 O\n0.170965 0.479164 0.593434 O\n0.922469 0.114269 0.593434 O\n0.422469 0.093434 0.614269 O\n0.691801 0.520835 0.614269 O\n0.077532 0.691801 0.670966 O\n0.093435 0.979165 0.670966 O\n0.520835 0.614269 0.691801 O\n0.670966 0.077532 0.691801 O\n0.422468 0.829034 0.808199 O\n0.885730 0.979165 0.808199 O\n0.808199 0.422468 0.829034 O\n0.520836 0.406566 0.829034 O\n0.406566 0.077532 0.885730 O\n0.979165 0.808199 0.885730 O\n0.020835 0.329034 0.906566 O\n0.385731 0.577532 0.906567 O\n0.308199 0.329035 0.922469 O\n0.114269 0.593434 0.922469 O\n0.808199 0.885730 0.979165 O\n0.670966 0.093435 0.979165 O\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.000000 0.500000 Te\n",
"nsites": 80,
"nelements": 4,
"elements": [
"As",
"Li",
"O",
"Te"
],
"chemical_system": "As-Li-O-Te",
"density": 5.295900560092518,
"density_atomic": 0.09207145418004314,
"volume": 868.8903712062834,
"volume_molar": 6.540725150516112,
"formula_full": "Li12 Te8 As12 O48",
"formula_reduced": "Li3Te2(AsO4)3",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.38282366348559,
"spacegroup": 230
},
{
"id": "oqmd-1282701",
"created_at": "2022-09-04T15:42:24.863766Z",
"updated_at": "2022-09-04T15:42:24.863793Z",
"structure_string": "Li12 Y12 Mn8 O48\n1.0\n8.487879 4.900479 3.465162\n-8.487879 4.900479 3.465162\n0.000000 -9.800959 3.465162\nLi Mn O Y\n12 8 48 12\ndirect\n0.875000 0.250001 0.125000 Li\n0.750000 0.874999 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.125000 0.875000 0.250001 Li\n0.250000 0.625000 0.375000 Li\n0.625000 0.750000 0.375000 Li\n0.375000 0.250000 0.625000 Li\n0.750000 0.375000 0.625000 Li\n0.875000 0.125000 0.750000 Li\n0.375000 0.625000 0.750000 Li\n0.125000 0.750000 0.875000 Li\n0.250001 0.125000 0.875000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.325380 0.909860 0.027422 O\n0.202043 0.117562 0.027422 O\n0.882437 0.409860 0.084479 O\n0.702043 0.674620 0.084480 O\n0.617562 0.415520 0.090140 O\n0.972579 0.674620 0.090140 O\n0.027423 0.202042 0.117562 O\n0.590140 0.915520 0.117562 O\n0.202041 0.584480 0.174619 O\n0.472578 0.590140 0.174620 O\n0.584480 0.174619 0.202041 O\n0.117563 0.027422 0.202042 O\n0.472578 0.382438 0.297958 O\n0.325380 0.915521 0.297958 O\n0.909860 0.027422 0.325380 O\n0.915521 0.297958 0.325380 O\n0.297958 0.472578 0.382438 O\n0.584481 0.909861 0.382438 O\n0.825380 0.527422 0.409860 O\n0.084479 0.882437 0.409860 O\n0.090140 0.617562 0.415520 O\n0.825381 0.797958 0.415520 O\n0.590140 0.174620 0.472578 O\n0.382438 0.297958 0.472578 O\n0.617562 0.702042 0.527422 O\n0.409860 0.825380 0.527422 O\n0.174619 0.202041 0.584480 O\n0.909861 0.382438 0.584481 O\n0.915521 0.117562 0.590140 O\n0.174620 0.472578 0.590140 O\n0.415520 0.090140 0.617562 O\n0.702042 0.527422 0.617562 O\n0.084480 0.702043 0.674620 O\n0.090140 0.972578 0.674620 O\n0.527422 0.617562 0.702042 O\n0.674620 0.084480 0.702043 O\n0.882439 0.972578 0.797958 O\n0.415520 0.825380 0.797959 O\n0.527422 0.409860 0.825380 O\n0.797959 0.415520 0.825380 O\n0.409860 0.084479 0.882437 O\n0.972579 0.797958 0.882438 O\n0.027422 0.325380 0.909860 O\n0.382438 0.584481 0.909861 O\n0.297958 0.325380 0.915521 O\n0.117562 0.590140 0.915521 O\n0.674620 0.090140 0.972578 O\n0.797959 0.882438 0.972578 O\n0.250000 0.375000 0.125000 Y\n0.375000 0.750000 0.125000 Y\n0.375000 0.125000 0.250000 Y\n0.875000 0.625000 0.250000 Y\n0.125000 0.250000 0.375000 Y\n0.750000 0.125000 0.375000 Y\n0.875000 0.750000 0.625000 Y\n0.250000 0.874999 0.625000 Y\n0.125000 0.375000 0.750000 Y\n0.625000 0.874999 0.750000 Y\n0.625000 0.250000 0.874999 Y\n0.750000 0.625000 0.874999 Y\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Y"
],
"chemical_system": "Li-Mn-O-Y",
"density": 4.527032795613133,
"density_atomic": 0.09250760805507258,
"volume": 864.7937362338196,
"volume_molar": 6.509887009957968,
"formula_full": "Li12 Y12 Mn8 O48",
"formula_reduced": "Li3Y3Mn2O12",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.34913045224844,
"spacegroup": 230
},
{
"id": "oqmd-1282703",
"created_at": "2022-09-04T15:42:24.886392Z",
"updated_at": "2022-09-04T15:42:24.886419Z",
"structure_string": "Li12 Y12 Re8 O48\n1.0\n10.535656 0.000000 0.000000\n-3.511885 9.933112 0.000000\n-3.511885 -4.966556 8.602327\nLi O Re Y\n12 48 8 12\ndirect\n0.750000 0.375000 0.125000 Li\n0.875000 0.750000 0.125000 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875000 0.625000 Li\n0.375000 0.125000 0.750000 Li\n0.875000 0.625000 0.750000 Li\n0.125000 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.325611 0.409389 0.027106 O\n0.201495 0.617717 0.027106 O\n0.701495 0.174389 0.083778 O\n0.882282 0.909389 0.083778 O\n0.972894 0.174389 0.090611 O\n0.617717 0.916222 0.090611 O\n0.590611 0.416222 0.117717 O\n0.027106 0.701495 0.117717 O\n0.201495 0.083778 0.174389 O\n0.472893 0.090611 0.174389 O\n0.117717 0.527106 0.201495 O\n0.583778 0.674389 0.201495 O\n0.325611 0.416222 0.298505 O\n0.472894 0.882283 0.298505 O\n0.909389 0.527106 0.325611 O\n0.916222 0.798505 0.325611 O\n0.583778 0.409389 0.382283 O\n0.298505 0.972894 0.382283 O\n0.825611 0.027106 0.409389 O\n0.083778 0.382283 0.409389 O\n0.090611 0.117717 0.416222 O\n0.825611 0.298505 0.416222 O\n0.590611 0.674388 0.472893 O\n0.382283 0.798505 0.472893 O\n0.617717 0.201495 0.527106 O\n0.409389 0.325611 0.527106 O\n0.174389 0.701495 0.583778 O\n0.909389 0.882282 0.583778 O\n0.916222 0.617717 0.590611 O\n0.174389 0.972893 0.590611 O\n0.701495 0.027106 0.617717 O\n0.416222 0.590611 0.617717 O\n0.083778 0.201495 0.674388 O\n0.090611 0.472894 0.674389 O\n0.527106 0.117717 0.701495 O\n0.674388 0.583778 0.701495 O\n0.416222 0.325611 0.798505 O\n0.882282 0.472893 0.798505 O\n0.527106 0.909389 0.825611 O\n0.798505 0.916222 0.825611 O\n0.972894 0.298505 0.882283 O\n0.409389 0.583778 0.882283 O\n0.382283 0.083778 0.909389 O\n0.027106 0.825611 0.909389 O\n0.117717 0.090611 0.916222 O\n0.298505 0.825611 0.916222 O\n0.798505 0.382283 0.972893 O\n0.674389 0.590611 0.972894 O\n0.000000 0.000000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n0.500000 0.500000 0.500000 Re\n0.375000 0.250000 0.125000 Y\n0.250000 0.875000 0.125000 Y\n0.875000 0.125000 0.250000 Y\n0.375000 0.625000 0.250000 Y\n0.750000 0.625000 0.375000 Y\n0.125000 0.750000 0.375000 Y\n0.875000 0.250000 0.625000 Y\n0.250000 0.375000 0.625000 Y\n0.625000 0.375000 0.750000 Y\n0.125000 0.875000 0.750000 Y\n0.750000 0.125000 0.875000 Y\n0.625000 0.750000 0.875000 Y\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Re",
"Y"
],
"chemical_system": "Li-O-Re-Y",
"density": 6.285777201340124,
"density_atomic": 0.08886425928914636,
"volume": 900.2494438140327,
"volume_molar": 6.7767860871997705,
"formula_full": "Li12 Y12 Re8 O48",
"formula_reduced": "Li3Y3(ReO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.68571196265225,
"spacegroup": 230
},
{
"id": "oqmd-1282674",
"created_at": "2022-09-04T15:42:24.895418Z",
"updated_at": "2022-09-04T15:42:24.895439Z",
"structure_string": "Li12 Tb12 Te8 O48\n1.0\n10.299145 0.000000 0.000000\n-3.433048 9.710127 0.000000\n-3.433048 -4.855063 8.409216\nLi O Tb Te\n12 48 12 8\ndirect\n0.875000 0.750000 0.124999 Li\n0.750001 0.375001 0.125001 Li\n0.124999 0.375000 0.250001 Li\n0.625000 0.875000 0.250001 Li\n0.250001 0.124999 0.375000 Li\n0.625001 0.250001 0.375000 Li\n0.375000 0.750001 0.625000 Li\n0.750001 0.875000 0.625001 Li\n0.375001 0.125001 0.750001 Li\n0.875000 0.625001 0.750001 Li\n0.124999 0.250000 0.875000 Li\n0.250001 0.625000 0.875000 Li\n0.327706 0.409569 0.025880 O\n0.198174 0.616313 0.025880 O\n0.698175 0.172294 0.081862 O\n0.883688 0.909568 0.081863 O\n0.974120 0.172295 0.090432 O\n0.616312 0.918138 0.090432 O\n0.590432 0.418138 0.116312 O\n0.025880 0.698175 0.116312 O\n0.474120 0.090432 0.172294 O\n0.198175 0.081863 0.172295 O\n0.116312 0.525881 0.198174 O\n0.581863 0.672295 0.198175 O\n0.474120 0.883688 0.301825 O\n0.327707 0.418138 0.301826 O\n0.909568 0.525880 0.327706 O\n0.918138 0.801826 0.327707 O\n0.581862 0.409569 0.383688 O\n0.301825 0.974120 0.383688 O\n0.827707 0.025880 0.409569 O\n0.081863 0.383688 0.409569 O\n0.827705 0.301825 0.418137 O\n0.090432 0.116312 0.418138 O\n0.590432 0.672294 0.474120 O\n0.383688 0.801826 0.474120 O\n0.616312 0.198175 0.525880 O\n0.409569 0.327707 0.525881 O\n0.172295 0.698175 0.581862 O\n0.909569 0.883688 0.581862 O\n0.172294 0.974119 0.590431 O\n0.918137 0.616312 0.590432 O\n0.698175 0.025880 0.616312 O\n0.418138 0.590432 0.616313 O\n0.081862 0.198174 0.672294 O\n0.090432 0.474120 0.672295 O\n0.525880 0.116312 0.698175 O\n0.672294 0.581862 0.698175 O\n0.418138 0.327706 0.801826 O\n0.883688 0.474120 0.801826 O\n0.801826 0.918137 0.827705 O\n0.525881 0.909569 0.827707 O\n0.974120 0.301826 0.883688 O\n0.409569 0.581863 0.883688 O\n0.025880 0.827705 0.909568 O\n0.383688 0.081862 0.909569 O\n0.116311 0.090432 0.918137 O\n0.301826 0.827706 0.918138 O\n0.801826 0.383688 0.974119 O\n0.672295 0.590432 0.974120 O\n0.375000 0.250001 0.124999 Tb\n0.250000 0.875000 0.124999 Tb\n0.875000 0.124999 0.250000 Tb\n0.375000 0.625001 0.250001 Tb\n0.750001 0.625000 0.375000 Tb\n0.125001 0.750001 0.375001 Tb\n0.875000 0.250001 0.625000 Tb\n0.250001 0.375000 0.625001 Tb\n0.124999 0.875000 0.750000 Tb\n0.625000 0.375000 0.750001 Tb\n0.750000 0.124999 0.875000 Tb\n0.625001 0.750001 0.875000 Tb\n0.000000 0.000000 0.000000 Te\n0.500001 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.500001 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.500001 Te\n0.500001 0.500001 0.500001 Te\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Tb",
"Te"
],
"chemical_system": "Li-O-Tb-Te",
"density": 7.462144187280889,
"density_atomic": 0.09512800662442411,
"volume": 840.9721052586422,
"volume_molar": 6.330565491376349,
"formula_full": "Li12 Tb12 Te8 O48",
"formula_reduced": "Li3Tb3(TeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.50699857406059,
"spacegroup": 230
}
]
}