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=27",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-spacegroup&page=25",
"results": [
{
"id": "oqmd-11306",
"created_at": "2022-09-04T15:52:14.467631Z",
"updated_at": "2022-09-04T15:52:14.467659Z",
"structure_string": "Na12 Li12 V8 F48\n1.0\n-5.979353 5.979353 5.979353\n5.979353 -5.979353 5.979353\n5.979353 5.979353 -5.979353\nF Li Na V\n48 12 12 8\ndirect\n0.204847 0.116227 0.025705 F\n0.320858 0.909478 0.025705 F\n0.883773 0.409478 0.088620 F\n0.704847 0.679142 0.088620 F\n0.616227 0.411380 0.090522 F\n0.974295 0.679142 0.090522 F\n0.025705 0.204847 0.116227 F\n0.590522 0.911380 0.116227 F\n0.204847 0.588620 0.179142 F\n0.474295 0.590522 0.179142 F\n0.116227 0.025705 0.204847 F\n0.588620 0.179142 0.204847 F\n0.474295 0.383773 0.295153 F\n0.320858 0.911380 0.295153 F\n0.909478 0.025705 0.320858 F\n0.911380 0.295153 0.320858 F\n0.295153 0.474295 0.383773 F\n0.588620 0.909478 0.383773 F\n0.820858 0.525705 0.409478 F\n0.088620 0.883773 0.409478 F\n0.090522 0.616227 0.411380 F\n0.820858 0.795153 0.411380 F\n0.590522 0.179142 0.474295 F\n0.383773 0.295153 0.474295 F\n0.616227 0.704847 0.525705 F\n0.409478 0.820858 0.525705 F\n0.179142 0.204847 0.588620 F\n0.909478 0.383773 0.588620 F\n0.911380 0.116227 0.590522 F\n0.179142 0.474295 0.590522 F\n0.411380 0.090522 0.616227 F\n0.704847 0.525705 0.616227 F\n0.088620 0.704847 0.679142 F\n0.090522 0.974295 0.679142 F\n0.679142 0.088620 0.704847 F\n0.525705 0.616227 0.704847 F\n0.411380 0.820858 0.795153 F\n0.883773 0.974295 0.795153 F\n0.525705 0.409478 0.820858 F\n0.795153 0.411380 0.820858 F\n0.409478 0.088620 0.883773 F\n0.974295 0.795153 0.883773 F\n0.025705 0.320858 0.909478 F\n0.383773 0.588620 0.909478 F\n0.295153 0.320858 0.911380 F\n0.116227 0.590522 0.911380 F\n0.679142 0.090522 0.974295 F\n0.795153 0.883773 0.974295 F\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\n0.250000 0.375000 0.125000 Na\n0.375000 0.750000 0.125000 Na\n0.375000 0.125000 0.250000 Na\n0.875000 0.625000 0.250000 Na\n0.750000 0.125000 0.375000 Na\n0.125000 0.250000 0.375000 Na\n0.875000 0.750000 0.625000 Na\n0.250000 0.875000 0.625000 Na\n0.125000 0.375000 0.750000 Na\n0.625000 0.875000 0.750000 Na\n0.625000 0.250000 0.875000 Na\n0.750000 0.625000 0.875000 Na\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n",
"nsites": 80,
"nelements": 4,
"elements": [
"F",
"Li",
"Na",
"V"
],
"chemical_system": "F-Li-Na-V",
"density": 3.2597185611347737,
"density_atomic": 0.0935550888307283,
"volume": 855.1111542926983,
"volume_molar": 6.436999670745885,
"formula_full": "Na12 Li12 V8 F48",
"formula_reduced": "Na3Li3V2F12",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -3.11537451523141,
"spacegroup": 230
},
{
"id": "oqmd-1282705",
"created_at": "2022-09-04T15:42:24.853741Z",
"updated_at": "2022-09-04T15:42:24.853759Z",
"structure_string": "Li12 Y12 S8 O48\n1.0\n10.924602 0.000000 0.000000\n-3.641534 10.299814 0.000000\n-3.641534 -5.149907 8.919900\nLi O S 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 0.874999 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 0.874999 0.625000 Li\n0.375000 0.125000 0.750000 Li\n0.874999 0.625000 0.750000 Li\n0.125000 0.250000 0.874999 Li\n0.250000 0.625000 0.874999 Li\n0.325380 0.409860 0.027422 O\n0.202042 0.617563 0.027422 O\n0.882437 0.909860 0.084479 O\n0.702043 0.174620 0.084480 O\n0.972578 0.174620 0.090140 O\n0.617562 0.915520 0.090140 O\n0.590140 0.415520 0.117562 O\n0.027422 0.702043 0.117562 O\n0.202041 0.084479 0.174619 O\n0.472578 0.090140 0.174620 O\n0.584480 0.674620 0.202041 O\n0.117562 0.527423 0.202042 O\n0.325380 0.415520 0.297958 O\n0.472578 0.882438 0.297958 O\n0.909860 0.527423 0.325380 O\n0.915520 0.797958 0.325380 O\n0.584481 0.409861 0.382438 O\n0.297958 0.972578 0.382438 O\n0.825380 0.027422 0.409860 O\n0.084479 0.382438 0.409860 O\n0.090140 0.117562 0.415520 O\n0.825380 0.297958 0.415520 O\n0.382438 0.797958 0.472578 O\n0.590140 0.674621 0.472578 O\n0.617562 0.202041 0.527422 O\n0.409861 0.325380 0.527423 O\n0.174619 0.702042 0.584480 O\n0.909860 0.882438 0.584481 O\n0.915520 0.617562 0.590140 O\n0.174620 0.972578 0.590140 O\n0.702042 0.027422 0.617563 O\n0.415520 0.590140 0.617563 O\n0.090140 0.472578 0.674620 O\n0.084480 0.202042 0.674621 O\n0.527423 0.117562 0.702042 O\n0.674621 0.584481 0.702043 O\n0.415520 0.325380 0.797958 O\n0.882438 0.472578 0.797958 O\n0.527423 0.909860 0.825380 O\n0.797958 0.915520 0.825380 O\n0.972578 0.297958 0.882438 O\n0.409860 0.584480 0.882438 O\n0.027422 0.825380 0.909860 O\n0.382438 0.084480 0.909860 O\n0.117562 0.090140 0.915520 O\n0.297958 0.825380 0.915520 O\n0.797958 0.382438 0.972578 O\n0.674620 0.590140 0.972578 O\n0.000000 0.000000 0.000000 S\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.500000 0.500000 S\n0.375000 0.250000 0.125000 Y\n0.250000 0.874999 0.125000 Y\n0.874999 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\n0.874999 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\n0.625000 0.750000 0.874999 Y\n0.750000 0.125000 0.875000 Y\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"S",
"Y"
],
"chemical_system": "Li-O-S-Y",
"density": 3.5978591225028755,
"density_atomic": 0.07970673056350032,
"volume": 1003.6793559894674,
"volume_molar": 7.5553729495934006,
"formula_full": "Li12 Y12 S8 O48",
"formula_reduced": "Li3Y3(SO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.44780850530359,
"spacegroup": 230
},
{
"id": "oqmd-1282669",
"created_at": "2022-09-04T15:42:24.875904Z",
"updated_at": "2022-09-04T15:42:24.875927Z",
"structure_string": "Li12 Sm12 Re8 O48\n1.0\n8.702956 5.024654 3.552967\n-8.702956 5.024654 3.552967\n0.000000 -10.049308 3.552967\nLi O Re Sm\n12 48 8 12\ndirect\n0.875000 0.250000 0.125000 Li\n0.750000 0.875000 0.125000 Li\n0.125000 0.875000 0.250000 Li\n0.625000 0.375000 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\n0.375000 0.625000 0.750000 Li\n0.875000 0.125000 0.750000 Li\n0.250000 0.125000 0.875000 Li\n0.125000 0.750000 0.875000 Li\n0.326309 0.909247 0.024843 O\n0.198534 0.115596 0.024844 O\n0.884403 0.409246 0.082937 O\n0.698534 0.673691 0.082938 O\n0.615596 0.417062 0.090752 O\n0.975157 0.673691 0.090753 O\n0.024844 0.198534 0.115596 O\n0.590754 0.917063 0.115597 O\n0.198534 0.582937 0.173690 O\n0.475157 0.590753 0.173690 O\n0.115596 0.024844 0.198534 O\n0.582937 0.173690 0.198534 O\n0.326309 0.917062 0.301466 O\n0.475157 0.384403 0.301466 O\n0.909247 0.024843 0.326309 O\n0.917062 0.301466 0.326309 O\n0.301466 0.475157 0.384403 O\n0.582938 0.909248 0.384404 O\n0.082937 0.884403 0.409246 O\n0.826310 0.524843 0.409247 O\n0.090752 0.615596 0.417062 O\n0.826310 0.801466 0.417063 O\n0.384403 0.301466 0.475157 O\n0.590753 0.173690 0.475157 O\n0.409247 0.826310 0.524843 O\n0.615597 0.698534 0.524843 O\n0.173690 0.198534 0.582937 O\n0.909248 0.384404 0.582938 O\n0.173690 0.475157 0.590753 O\n0.917063 0.115597 0.590754 O\n0.417062 0.090752 0.615596 O\n0.698534 0.524843 0.615597 O\n0.082938 0.698534 0.673691 O\n0.090753 0.975157 0.673691 O\n0.524843 0.615597 0.698534 O\n0.673691 0.082938 0.698534 O\n0.417063 0.826310 0.801466 O\n0.884404 0.975156 0.801466 O\n0.524843 0.409247 0.826310 O\n0.801466 0.417063 0.826310 O\n0.409246 0.082937 0.884403 O\n0.975156 0.801466 0.884404 O\n0.024843 0.326309 0.909247 O\n0.384404 0.582938 0.909248 O\n0.301466 0.326309 0.917062 O\n0.115597 0.590754 0.917063 O\n0.801466 0.884404 0.975156 O\n0.673691 0.090753 0.975157 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\n0.250000 0.375000 0.125000 Sm\n0.375000 0.750000 0.125000 Sm\n0.375000 0.125000 0.250000 Sm\n0.875000 0.625000 0.250000 Sm\n0.750000 0.125000 0.375000 Sm\n0.125000 0.250000 0.375000 Sm\n0.875000 0.750000 0.625000 Sm\n0.250000 0.875000 0.625000 Sm\n0.125000 0.375000 0.750000 Sm\n0.625000 0.875000 0.750000 Sm\n0.625000 0.250000 0.875000 Sm\n0.750000 0.625000 0.875000 Sm\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Re",
"Sm"
],
"chemical_system": "Li-O-Re-Sm",
"density": 7.383857734845137,
"density_atomic": 0.08581725396482574,
"volume": 932.2134687832113,
"volume_molar": 7.017400909225455,
"formula_full": "Li12 Sm12 Re8 O48",
"formula_reduced": "Li3Sm3(ReO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.68261311740225,
"spacegroup": 230
},
{
"id": "oqmd-1282700",
"created_at": "2022-09-04T15:42:24.877276Z",
"updated_at": "2022-09-04T15:42:24.877305Z",
"structure_string": "Li12 Y12 Ir8 O48\n1.0\n8.585355 4.956757 3.504957\n-8.585355 4.956757 3.504957\n0.000000 -9.913514 3.504957\nIr Li O Y\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\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\n0.325380 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": [
"Ir",
"Li",
"O",
"Y"
],
"chemical_system": "Ir-Li-O-Y",
"density": 6.412340686868492,
"density_atomic": 0.08939230916710453,
"volume": 894.9315745994757,
"volume_molar": 6.736754891008104,
"formula_full": "Li12 Y12 Ir8 O48",
"formula_reduced": "Li3Y3(IrO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.32783331777725,
"spacegroup": 230
},
{
"id": "oqmd-1282692",
"created_at": "2022-09-04T15:42:24.886003Z",
"updated_at": "2022-09-04T15:42:24.886025Z",
"structure_string": "Li12 Tm12 Te8 O48\n1.0\n10.219330 0.000000 0.000000\n-3.406443 9.634877 0.000000\n-3.406443 -4.817438 8.344048\nLi O Te Tm\n12 48 8 12\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\n0.000000 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\n0.375000 0.250001 0.124999 Tm\n0.250000 0.875000 0.124999 Tm\n0.875000 0.124999 0.250000 Tm\n0.375000 0.625001 0.250001 Tm\n0.750001 0.625000 0.375000 Tm\n0.125001 0.750001 0.375001 Tm\n0.875000 0.250001 0.625000 Tm\n0.250001 0.375000 0.625001 Tm\n0.124999 0.875000 0.750000 Tm\n0.625000 0.375000 0.750001 Tm\n0.750000 0.124999 0.875000 Tm\n0.625001 0.750001 0.875000 Tm\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"Te",
"Tm"
],
"chemical_system": "Li-O-Te-Tm",
"density": 7.881110707456932,
"density_atomic": 0.09737435522602991,
"volume": 821.5715504795925,
"volume_molar": 6.18452440174944,
"formula_full": "Li12 Tm12 Te8 O48",
"formula_reduced": "Li3Tm3(TeO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.61782032723559,
"spacegroup": 230
},
{
"id": "oqmd-1282708",
"created_at": "2022-09-04T15:42:24.894589Z",
"updated_at": "2022-09-04T15:42:24.894615Z",
"structure_string": "Li12 Yb12 Mn8 O48\n1.0\n9.900960 0.000000 0.000000\n-3.300320 9.334715 0.000000\n-3.300320 -4.667357 8.084100\nLi Mn O Yb\n12 8 48 12\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\n0.000000 0.000000 0.000000 Mn\n0.500001 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500001 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500001 Mn\n0.500001 0.500001 0.500001 Mn\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": [
"Li",
"Mn",
"O",
"Yb"
],
"chemical_system": "Li-Mn-O-Yb",
"density": 7.483660862947083,
"density_atomic": 0.10707299259539997,
"volume": 747.1538626206001,
"volume_molar": 5.624332162598695,
"formula_full": "Li12 Yb12 Mn8 O48",
"formula_reduced": "Li3Yb3Mn2O12",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -1.87435360374844,
"spacegroup": 230
},
{
"id": "oqmd-1282711",
"created_at": "2022-09-04T15:42:24.895434Z",
"updated_at": "2022-09-04T15:42:24.895462Z",
"structure_string": "Li12 Yb12 Re8 O48\n1.0\n10.048141 0.000000 0.000000\n-3.349380 9.473478 0.000000\n-3.349380 -4.736739 8.204273\nLi O Re Yb\n12 48 8 12\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\n0.000000 0.000000 0.000000 Re\n0.500001 0.000000 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.500001 0.000000 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n0.000000 0.000000 0.500001 Re\n0.500001 0.500001 0.500001 Re\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": [
"Li",
"O",
"Re",
"Yb"
],
"chemical_system": "Li-O-Re-Yb",
"density": 9.39248415018186,
"density_atomic": 0.102436495498095,
"volume": 780.9716606469395,
"volume_molar": 5.8789015874835275,
"formula_full": "Li12 Yb12 Re8 O48",
"formula_reduced": "Li3Yb3(ReO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.49312299877725,
"spacegroup": 230
},
{
"id": "oqmd-1282704",
"created_at": "2022-09-04T15:42:24.903133Z",
"updated_at": "2022-09-04T15:42:24.903149Z",
"structure_string": "Li12 Y12 Ru8 O48\n1.0\n8.567410 4.946397 3.497631\n-8.567410 4.946397 3.497631\n0.000000 -9.892793 3.497631\nLi O Ru Y\n12 48 8 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\n0.202043 0.117562 0.027422 O\n0.325380 0.909860 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\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\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",
"O",
"Ru",
"Y"
],
"chemical_system": "Li-O-Ru-Y",
"density": 5.091217758191535,
"density_atomic": 0.08995519625414874,
"volume": 889.3316154186077,
"volume_molar": 6.694600212961302,
"formula_full": "Li12 Y12 Ru8 O48",
"formula_reduced": "Li3Y3(RuO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.36551207202725,
"spacegroup": 230
},
{
"id": "oqmd-1282710",
"created_at": "2022-09-04T15:42:24.916544Z",
"updated_at": "2022-09-04T15:42:24.916555Z",
"structure_string": "Li12 Yb12 Os8 O48\n1.0\n10.027339 0.000000 0.000000\n-3.342446 9.453866 0.000000\n-3.342446 -4.726933 8.187288\nLi O Os Yb\n12 48 8 12\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\n0.000000 0.000000 0.000000 Os\n0.500001 0.000000 0.000000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500001 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.500001 Os\n0.500001 0.500001 0.500001 Os\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": [
"Li",
"O",
"Os",
"Yb"
],
"chemical_system": "Li-O-Os-Yb",
"density": 9.519918309780733,
"density_atomic": 0.10307534081846224,
"volume": 776.1313168092952,
"volume_molar": 5.842465047587162,
"formula_full": "Li12 Yb12 Os8 O48",
"formula_reduced": "Li3Yb3(OsO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.27269633452725,
"spacegroup": 230
},
{
"id": "oqmd-1282714",
"created_at": "2022-09-04T15:42:35.279176Z",
"updated_at": "2022-09-04T15:42:35.279199Z",
"structure_string": "Li12 Zr8 Bi12 O48\n1.0\n10.906235 0.000000 0.000000\n-3.635412 10.282497 0.000000\n-3.635412 -5.141249 8.904904\nBi Li O Zr\n12 12 48 8\ndirect\n0.375000 0.250000 0.125000 Bi\n0.250000 0.875000 0.125000 Bi\n0.875000 0.125000 0.250000 Bi\n0.375000 0.625000 0.250000 Bi\n0.750000 0.625000 0.375000 Bi\n0.125001 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 0.875000 Bi\n0.875000 0.750000 0.125000 Li\n0.750000 0.375000 0.125001 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875000 0.625000 Li\n0.375000 0.125001 0.750000 Li\n0.875000 0.625000 0.750000 Li\n0.125000 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.329305 0.409159 0.024252 O\n0.194947 0.615094 0.024252 O\n0.694948 0.170695 0.079854 O\n0.884906 0.909159 0.079854 O\n0.975748 0.170695 0.090841 O\n0.615093 0.920146 0.090841 O\n0.590841 0.420146 0.115093 O\n0.024253 0.694948 0.115094 O\n0.475748 0.090841 0.170694 O\n0.194947 0.079854 0.170695 O\n0.115093 0.524253 0.194947 O\n0.579854 0.670695 0.194947 O\n0.475748 0.884906 0.305052 O\n0.329305 0.420147 0.305053 O\n0.909159 0.524252 0.329305 O\n0.920146 0.805053 0.329305 O\n0.579854 0.409160 0.384906 O\n0.305052 0.975748 0.384906 O\n0.829305 0.024252 0.409159 O\n0.079854 0.384906 0.409159 O\n0.090841 0.115093 0.420147 O\n0.829305 0.305052 0.420147 O\n0.590842 0.670695 0.475748 O\n0.384906 0.805052 0.475748 O\n0.615094 0.194947 0.524253 O\n0.409160 0.329305 0.524253 O\n0.170695 0.694947 0.579854 O\n0.909159 0.884906 0.579854 O\n0.920146 0.615094 0.590841 O\n0.170694 0.975748 0.590841 O\n0.694947 0.024252 0.615093 O\n0.420147 0.590842 0.615094 O\n0.079853 0.194947 0.670695 O\n0.090841 0.475748 0.670695 O\n0.524252 0.115093 0.694947 O\n0.670695 0.579854 0.694948 O\n0.420146 0.329305 0.805052 O\n0.884906 0.475748 0.805053 O\n0.524253 0.909159 0.829305 O\n0.805052 0.920146 0.829305 O\n0.975748 0.305053 0.884906 O\n0.409159 0.579854 0.884906 O\n0.024252 0.829305 0.909159 O\n0.384906 0.079854 0.909159 O\n0.115094 0.090841 0.920146 O\n0.305053 0.829305 0.920146 O\n0.805053 0.384906 0.975748 O\n0.670695 0.590841 0.975748 O\n0.000000 0.000000 0.000000 Zr\n0.500001 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.500001 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500001 Zr\n0.500001 0.500001 0.500001 Zr\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Bi",
"Li",
"O",
"Zr"
],
"chemical_system": "Bi-Li-O-Zr",
"density": 6.798990041138492,
"density_atomic": 0.08011010524840659,
"volume": 998.6255760360672,
"volume_molar": 7.517329731781598,
"formula_full": "Li12 Zr8 Bi12 O48",
"formula_reduced": "Li3Zr2(BiO4)3",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.02307814590225,
"spacegroup": 230
},
{
"id": "oqmd-1282713",
"created_at": "2022-09-04T15:42:35.285481Z",
"updated_at": "2022-09-04T15:42:35.285502Z",
"structure_string": "Li12 Yb12 S8 O48\n1.0\n10.458256 0.000000 0.000000\n-3.486085 9.860138 0.000000\n-3.486085 -4.930069 8.539130\nLi O S Yb\n12 48 8 12\ndirect\n0.874999 0.750000 0.125000 Li\n0.750000 0.375000 0.125001 Li\n0.125000 0.375000 0.250000 Li\n0.625000 0.875000 0.250000 Li\n0.250000 0.125000 0.375000 Li\n0.625000 0.250000 0.375000 Li\n0.375000 0.750000 0.624999 Li\n0.750000 0.874999 0.625000 Li\n0.375000 0.125001 0.750000 Li\n0.874999 0.625000 0.750000 Li\n0.125000 0.249999 0.874999 Li\n0.250000 0.625000 0.875000 Li\n0.333663 0.410284 0.020584 O\n0.186920 0.610300 0.020584 O\n0.889701 0.910285 0.076621 O\n0.686921 0.166336 0.076621 O\n0.979415 0.166336 0.089716 O\n0.610299 0.923379 0.089716 O\n0.589715 0.423379 0.110299 O\n0.020585 0.686921 0.110300 O\n0.479416 0.089716 0.166336 O\n0.186920 0.076621 0.166336 O\n0.576620 0.666336 0.186920 O\n0.110299 0.520585 0.186921 O\n0.479416 0.889700 0.313079 O\n0.333664 0.423380 0.313080 O\n0.910284 0.520584 0.333663 O\n0.923379 0.813080 0.333664 O\n0.576621 0.410285 0.389700 O\n0.313079 0.979415 0.389700 O\n0.076621 0.389700 0.410284 O\n0.833664 0.020584 0.410285 O\n0.089716 0.110299 0.423380 O\n0.833663 0.313079 0.423380 O\n0.589716 0.666336 0.479416 O\n0.389700 0.813079 0.479416 O\n0.610300 0.186920 0.520584 O\n0.410285 0.333664 0.520585 O\n0.166336 0.686920 0.576621 O\n0.910286 0.889700 0.576621 O\n0.923379 0.610300 0.589715 O\n0.166336 0.979415 0.589715 O\n0.686920 0.020584 0.610299 O\n0.423380 0.589716 0.610300 O\n0.076620 0.186920 0.666336 O\n0.089716 0.479416 0.666336 O\n0.520584 0.110299 0.686920 O\n0.666336 0.576621 0.686921 O\n0.423379 0.333663 0.813079 O\n0.889700 0.479416 0.813081 O\n0.813079 0.923379 0.833663 O\n0.520585 0.910286 0.833664 O\n0.410284 0.576620 0.889700 O\n0.979416 0.313080 0.889700 O\n0.020584 0.833664 0.910285 O\n0.389701 0.076621 0.910286 O\n0.110300 0.089716 0.923379 O\n0.313080 0.833663 0.923379 O\n0.813080 0.389700 0.979415 O\n0.666336 0.589715 0.979415 O\n0.000000 0.000000 0.000000 S\n0.500000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.500000 S\n0.375000 0.250000 0.125000 Yb\n0.249999 0.874999 0.125000 Yb\n0.874999 0.125000 0.249999 Yb\n0.375000 0.625000 0.250000 Yb\n0.750000 0.624999 0.375000 Yb\n0.125001 0.750000 0.375000 Yb\n0.875000 0.250000 0.625000 Yb\n0.250000 0.375000 0.625000 Yb\n0.624999 0.375000 0.750000 Yb\n0.125000 0.874999 0.750000 Yb\n0.750000 0.125000 0.874999 Yb\n0.625000 0.750000 0.874999 Yb\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"O",
"S",
"Yb"
],
"chemical_system": "Li-O-S-Yb",
"density": 6.004850069221609,
"density_atomic": 0.09085191794960946,
"volume": 880.5537825230236,
"volume_molar": 6.628523531380095,
"formula_full": "Li12 Yb12 S8 O48",
"formula_reduced": "Li3Yb3(SO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.09668828292859,
"spacegroup": 230
},
{
"id": "oqmd-1282712",
"created_at": "2022-09-04T15:42:35.403562Z",
"updated_at": "2022-09-04T15:42:35.403591Z",
"structure_string": "Li12 Yb12 Ru8 O48\n1.0\n10.008183 0.000000 0.000000\n-3.336061 9.435805 0.000000\n-3.336061 -4.717903 8.171647\nLi O Ru Yb\n12 48 8 12\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\n0.000000 0.000000 0.000000 Ru\n0.500001 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500001 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500001 Ru\n0.500001 0.500001 0.500001 Ru\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": [
"Li",
"O",
"Ru",
"Yb"
],
"chemical_system": "Li-O-Ru-Yb",
"density": 8.03984019728126,
"density_atomic": 0.10366835191033924,
"volume": 771.6916351596914,
"volume_molar": 5.809044562807784,
"formula_full": "Li12 Yb12 Ru8 O48",
"formula_reduced": "Li3Yb3(RuO6)2",
"formula_anonymous": "A2B3C3D12",
"formation_energy": -2.05379788227725,
"spacegroup": 230
}
]
}