GET /third-parties/OqmdStructure/?format=api&ordering=-nsites&page=47
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=-nsites&page=48",
    "previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=46",
    "results": [
        {
            "id": "oqmd-1282788",
            "created_at": "2022-09-04T15:42:35.948778Z",
            "updated_at": "2022-09-04T15:42:35.948807Z",
            "structure_string": "Yb12 Ag12 Te8 O48\n1.0\n10.645614 0.000000 0.000000\n-3.548538 10.036781 0.000000\n-3.548538 -5.018390 8.692107\nAg O Te Yb\n12 48 8 12\ndirect\n0.875000 0.750000 0.124999 Ag\n0.750001 0.375001 0.125001 Ag\n0.124999 0.375000 0.250001 Ag\n0.625000 0.875000 0.250001 Ag\n0.250001 0.124999 0.375000 Ag\n0.625001 0.250001 0.375000 Ag\n0.375000 0.750001 0.625000 Ag\n0.750001 0.875000 0.625001 Ag\n0.375001 0.125001 0.750001 Ag\n0.875000 0.625001 0.750001 Ag\n0.124999 0.250000 0.875000 Ag\n0.250001 0.625000 0.875000 Ag\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 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": [
                "Ag",
                "O",
                "Te",
                "Yb"
            ],
            "chemical_system": "Ag-O-Te-Yb",
            "density": 9.225305628404868,
            "density_atomic": 0.08613898698858295,
            "volume": 928.7316091911247,
            "volume_molar": 6.991190598512828,
            "formula_full": "Yb12 Ag12 Te8 O48",
            "formula_reduced": "Yb3Ag3(TeO6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.64217311386059,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350657",
            "created_at": "2022-09-04T15:46:59.036424Z",
            "updated_at": "2022-09-04T15:46:59.036455Z",
            "structure_string": "Pr12 Re8 Mo12 N48\n1.0\n-6.464158 6.464158 6.464158\n6.464158 -6.464158 6.464158\n6.464158 6.464158 -6.464158\nMo N Pr Re\n12 48 12 8\ndirect\n0.875000 0.250000 0.125000 Mo\n0.750000 0.875000 0.125000 Mo\n0.625000 0.375000 0.250000 Mo\n0.125000 0.875000 0.250000 Mo\n0.250000 0.625000 0.375000 Mo\n0.625000 0.750000 0.375000 Mo\n0.375000 0.250000 0.625000 Mo\n0.750000 0.375000 0.625000 Mo\n0.875000 0.125000 0.750000 Mo\n0.375000 0.625000 0.750000 Mo\n0.250000 0.125000 0.875000 Mo\n0.125000 0.750000 0.875000 Mo\n0.192405 0.112155 0.012214 N\n0.319810 0.900059 0.012214 N\n0.887845 0.400059 0.080249 N\n0.692405 0.680191 0.080249 N\n0.612156 0.419751 0.099941 N\n0.987786 0.680191 0.099941 N\n0.012214 0.192405 0.112155 N\n0.599941 0.919751 0.112155 N\n0.192405 0.580250 0.180191 N\n0.487786 0.599941 0.180191 N\n0.112155 0.012214 0.192405 N\n0.580250 0.180191 0.192405 N\n0.487786 0.387845 0.307595 N\n0.319810 0.919751 0.307595 N\n0.900059 0.012214 0.319810 N\n0.919751 0.307595 0.319810 N\n0.307595 0.487786 0.387845 N\n0.580250 0.900059 0.387845 N\n0.080249 0.887845 0.400059 N\n0.819810 0.512214 0.400059 N\n0.099941 0.612156 0.419751 N\n0.819810 0.807596 0.419751 N\n0.599941 0.180191 0.487786 N\n0.387845 0.307595 0.487786 N\n0.612156 0.692405 0.512214 N\n0.400059 0.819810 0.512214 N\n0.180191 0.192405 0.580250 N\n0.900059 0.387845 0.580250 N\n0.180191 0.487786 0.599941 N\n0.919751 0.112155 0.599941 N\n0.419751 0.099941 0.612156 N\n0.692405 0.512214 0.612156 N\n0.080249 0.692405 0.680191 N\n0.099941 0.987786 0.680191 N\n0.680191 0.080249 0.692405 N\n0.512214 0.612156 0.692405 N\n0.419751 0.819810 0.807596 N\n0.887845 0.987786 0.807596 N\n0.512214 0.400059 0.819810 N\n0.807596 0.419751 0.819810 N\n0.400059 0.080249 0.887845 N\n0.987786 0.807596 0.887845 N\n0.012214 0.319810 0.900059 N\n0.387845 0.580250 0.900059 N\n0.307595 0.319810 0.919751 N\n0.112155 0.599941 0.919751 N\n0.680191 0.099941 0.987786 N\n0.807596 0.887845 0.987786 N\n0.250000 0.375000 0.125000 Pr\n0.375000 0.750000 0.125000 Pr\n0.375000 0.125000 0.250000 Pr\n0.875000 0.625000 0.250000 Pr\n0.750000 0.125000 0.375000 Pr\n0.125000 0.250000 0.375000 Pr\n0.875000 0.750000 0.625000 Pr\n0.250000 0.875000 0.625000 Pr\n0.125000 0.375000 0.750000 Pr\n0.625000 0.875000 0.750000 Pr\n0.625000 0.250000 0.875000 Pr\n0.750000 0.625000 0.875000 Pr\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\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Mo",
                "N",
                "Pr",
                "Re"
            ],
            "chemical_system": "Mo-N-Pr-Re",
            "density": 7.6910119107620485,
            "density_atomic": 0.07404472189331766,
            "volume": 1080.4281244416395,
            "volume_molar": 8.133112808062938,
            "formula_full": "Pr12 Re8 Mo12 N48",
            "formula_reduced": "Pr3Re2(MoN4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.693368038706105,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350731",
            "created_at": "2022-09-04T15:46:58.005598Z",
            "updated_at": "2022-09-04T15:46:58.005626Z",
            "structure_string": "Sm12 Ta12 Mo8 N48\n1.0\n-6.458242 6.458242 6.458242\n6.458242 -6.458242 6.458242\n6.458242 6.458242 -6.458242\nMo N Sm Ta\n8 48 12 12\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.323371 0.905993 0.021276 N\n0.197905 0.115283 0.021276 N\n0.884717 0.405993 0.082622 N\n0.697905 0.676629 0.082622 N\n0.615283 0.417378 0.094007 N\n0.978724 0.676629 0.094007 N\n0.021276 0.197905 0.115283 N\n0.594007 0.917377 0.115283 N\n0.197905 0.582622 0.176629 N\n0.478724 0.594007 0.176629 N\n0.115283 0.021276 0.197905 N\n0.582622 0.176629 0.197905 N\n0.478724 0.384717 0.302095 N\n0.323371 0.917377 0.302095 N\n0.905993 0.021276 0.323371 N\n0.917377 0.302095 0.323371 N\n0.302095 0.478724 0.384717 N\n0.582622 0.905993 0.384717 N\n0.082622 0.884717 0.405993 N\n0.823370 0.521276 0.405993 N\n0.094007 0.615283 0.417378 N\n0.823370 0.802094 0.417378 N\n0.384717 0.302095 0.478724 N\n0.594007 0.176629 0.478724 N\n0.615283 0.697905 0.521276 N\n0.405993 0.823370 0.521276 N\n0.176629 0.197905 0.582622 N\n0.905993 0.384717 0.582622 N\n0.176629 0.478724 0.594007 N\n0.917377 0.115283 0.594007 N\n0.697905 0.521276 0.615283 N\n0.417378 0.094007 0.615283 N\n0.082622 0.697905 0.676629 N\n0.094007 0.978724 0.676629 N\n0.521276 0.615283 0.697905 N\n0.676629 0.082622 0.697905 N\n0.417378 0.823370 0.802094 N\n0.884717 0.978724 0.802094 N\n0.521276 0.405993 0.823370 N\n0.802094 0.417378 0.823370 N\n0.978724 0.802094 0.884717 N\n0.405993 0.082622 0.884717 N\n0.021276 0.323371 0.905993 N\n0.384717 0.582622 0.905993 N\n0.302095 0.323371 0.917377 N\n0.115283 0.594007 0.917377 N\n0.802094 0.884717 0.978724 N\n0.676629 0.094007 0.978724 N\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\n0.125000 0.250000 0.375000 Sm\n0.750000 0.125000 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\n0.750000 0.625000 0.875000 Sm\n0.625000 0.250000 0.875000 Sm\n0.750000 0.875000 0.125000 Ta\n0.875000 0.250000 0.125000 Ta\n0.125000 0.875000 0.250000 Ta\n0.625000 0.375000 0.250000 Ta\n0.250000 0.625000 0.375000 Ta\n0.625000 0.750000 0.375000 Ta\n0.375000 0.250000 0.625000 Ta\n0.750000 0.375000 0.625000 Ta\n0.375000 0.625000 0.750000 Ta\n0.875000 0.125000 0.750000 Ta\n0.125000 0.750000 0.875000 Ta\n0.250000 0.125000 0.875000 Ta\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Mo",
                "N",
                "Sm",
                "Ta"
            ],
            "chemical_system": "Mo-N-Sm-Ta",
            "density": 8.346177605229546,
            "density_atomic": 0.07424839185492052,
            "volume": 1077.4644137251885,
            "volume_molar": 8.11080295417995,
            "formula_full": "Sm12 Ta12 Mo8 N48",
            "formula_reduced": "Sm3Ta3(MoN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.0006363307061,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350498",
            "created_at": "2022-09-04T15:46:58.619751Z",
            "updated_at": "2022-09-04T15:46:58.619783Z",
            "structure_string": "Lu12 Mo8 W12 N48\n1.0\n-6.299439 6.299439 6.299439\n6.299439 -6.299439 6.299439\n6.299439 6.299439 -6.299439\nLu Mo N W\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Lu\n0.375000 0.750000 0.125000 Lu\n0.375000 0.125000 0.250000 Lu\n0.875000 0.625000 0.250000 Lu\n0.750000 0.125000 0.375000 Lu\n0.125000 0.250000 0.375000 Lu\n0.875000 0.750000 0.625000 Lu\n0.250000 0.875000 0.625000 Lu\n0.125000 0.375000 0.750000 Lu\n0.625000 0.875000 0.750000 Lu\n0.750000 0.625000 0.875000 Lu\n0.625000 0.250000 0.875000 Lu\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.208427 0.120376 0.027002 N\n0.318574 0.906626 0.027002 N\n0.879624 0.406626 0.088051 N\n0.708427 0.681426 0.088051 N\n0.620376 0.411949 0.093374 N\n0.972999 0.681426 0.093374 N\n0.027002 0.208427 0.120376 N\n0.593374 0.911949 0.120376 N\n0.208427 0.588052 0.181426 N\n0.472998 0.593374 0.181426 N\n0.120376 0.027002 0.208427 N\n0.588052 0.181426 0.208427 N\n0.472998 0.379624 0.291573 N\n0.318574 0.911949 0.291573 N\n0.911949 0.291573 0.318574 N\n0.906626 0.027002 0.318574 N\n0.291573 0.472998 0.379624 N\n0.588052 0.906626 0.379624 N\n0.818575 0.527002 0.406626 N\n0.088051 0.879624 0.406626 N\n0.093374 0.620376 0.411949 N\n0.818575 0.791573 0.411949 N\n0.379624 0.291573 0.472998 N\n0.593374 0.181426 0.472998 N\n0.620376 0.708427 0.527002 N\n0.406626 0.818575 0.527002 N\n0.181426 0.208427 0.588052 N\n0.906626 0.379624 0.588052 N\n0.911949 0.120376 0.593374 N\n0.181426 0.472998 0.593374 N\n0.411949 0.093374 0.620376 N\n0.708427 0.527002 0.620376 N\n0.093374 0.972999 0.681426 N\n0.088051 0.708427 0.681426 N\n0.681426 0.088051 0.708427 N\n0.527002 0.620376 0.708427 N\n0.411949 0.818575 0.791573 N\n0.879624 0.972999 0.791573 N\n0.527002 0.406626 0.818575 N\n0.791573 0.411949 0.818575 N\n0.406626 0.088051 0.879624 N\n0.972999 0.791573 0.879624 N\n0.027002 0.318574 0.906626 N\n0.379624 0.588052 0.906626 N\n0.291573 0.318574 0.911949 N\n0.120376 0.593374 0.911949 N\n0.681426 0.093374 0.972999 N\n0.791573 0.879624 0.972999 N\n0.875000 0.250000 0.125000 W\n0.750000 0.875000 0.125000 W\n0.625000 0.375000 0.250000 W\n0.125000 0.875000 0.250000 W\n0.250000 0.625000 0.375000 W\n0.625000 0.750000 0.375000 W\n0.375000 0.250000 0.625000 W\n0.750000 0.375000 0.625000 W\n0.875000 0.125000 0.750000 W\n0.375000 0.625000 0.750000 W\n0.250000 0.125000 0.875000 W\n0.125000 0.750000 0.875000 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Lu",
                "Mo",
                "N",
                "W"
            ],
            "chemical_system": "Lu-Mo-N-W",
            "density": 9.541425104780535,
            "density_atomic": 0.0800063340444857,
            "volume": 999.9208307122011,
            "volume_molar": 7.527079989256258,
            "formula_full": "Lu12 Mo8 W12 N48",
            "formula_reduced": "Lu3Mo2(WN4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.855758839081102,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350650",
            "created_at": "2022-09-04T15:46:58.958341Z",
            "updated_at": "2022-09-04T15:46:58.958374Z",
            "structure_string": "Er12 Ta12 W8 N48\n1.0\n-6.371674 6.371674 6.371674\n6.371674 -6.371674 6.371674\n6.371674 6.371674 -6.371674\nEr N Ta W\n12 48 12 8\ndirect\n0.250000 0.375000 0.125000 Er\n0.375000 0.750000 0.125000 Er\n0.375000 0.125000 0.250000 Er\n0.875000 0.625000 0.250000 Er\n0.750000 0.125000 0.375000 Er\n0.125000 0.250000 0.375000 Er\n0.250000 0.875000 0.625000 Er\n0.875000 0.750000 0.625001 Er\n0.125000 0.375000 0.750000 Er\n0.625001 0.875000 0.750000 Er\n0.625000 0.250000 0.875000 Er\n0.750000 0.625001 0.875000 Er\n0.324270 0.907896 0.025857 N\n0.201588 0.117961 0.025858 N\n0.701587 0.675729 0.083626 N\n0.882039 0.407897 0.083626 N\n0.974142 0.675729 0.092103 N\n0.617961 0.416373 0.092103 N\n0.592103 0.916373 0.117960 N\n0.025858 0.201588 0.117961 N\n0.474142 0.592103 0.175729 N\n0.201587 0.583626 0.175729 N\n0.583626 0.175729 0.201587 N\n0.117961 0.025858 0.201588 N\n0.474142 0.382039 0.298413 N\n0.324270 0.916374 0.298413 N\n0.907896 0.025857 0.324270 N\n0.916374 0.298413 0.324270 N\n0.298413 0.474142 0.382039 N\n0.583626 0.907897 0.382039 N\n0.083626 0.882039 0.407897 N\n0.824271 0.525858 0.407898 N\n0.092103 0.617961 0.416373 N\n0.824270 0.798413 0.416373 N\n0.592103 0.175729 0.474142 N\n0.382039 0.298413 0.474142 N\n0.617960 0.701586 0.525857 N\n0.407898 0.824271 0.525858 N\n0.175729 0.201587 0.583626 N\n0.907897 0.382039 0.583626 N\n0.916373 0.117960 0.592103 N\n0.175729 0.474142 0.592103 N\n0.701586 0.525857 0.617960 N\n0.416373 0.092103 0.617961 N\n0.083626 0.701587 0.675729 N\n0.092103 0.974142 0.675729 N\n0.525857 0.617960 0.701586 N\n0.675729 0.083626 0.701587 N\n0.416373 0.824270 0.798413 N\n0.882040 0.974143 0.798413 N\n0.798413 0.416373 0.824270 N\n0.525858 0.407898 0.824271 N\n0.407897 0.083626 0.882039 N\n0.974143 0.798413 0.882040 N\n0.025857 0.324270 0.907896 N\n0.382039 0.583626 0.907897 N\n0.117960 0.592103 0.916373 N\n0.298413 0.324270 0.916374 N\n0.675729 0.092103 0.974142 N\n0.798413 0.882040 0.974143 N\n0.875000 0.249999 0.125000 Ta\n0.750000 0.875000 0.125000 Ta\n0.125000 0.875000 0.249999 Ta\n0.625001 0.375000 0.250000 Ta\n0.250000 0.625001 0.375000 Ta\n0.625000 0.750000 0.375000 Ta\n0.750000 0.375000 0.625000 Ta\n0.375000 0.250000 0.625001 Ta\n0.375000 0.625000 0.750000 Ta\n0.875000 0.125000 0.750000 Ta\n0.249999 0.125000 0.875000 Ta\n0.125000 0.750000 0.875000 Ta\n0.000000 0.000000 0.000000 W\n0.500001 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500001 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500001 W\n0.500001 0.500001 0.500001 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Er",
                "N",
                "Ta",
                "W"
            ],
            "chemical_system": "Er-N-Ta-W",
            "density": 10.144958289607718,
            "density_atomic": 0.07731599569868218,
            "volume": 1034.7147349919412,
            "volume_molar": 7.788997225709459,
            "formula_full": "Er12 Ta12 W8 N48",
            "formula_reduced": "Er3Ta3(WN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.1168104347061,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350542",
            "created_at": "2022-09-04T15:46:58.143015Z",
            "updated_at": "2022-09-04T15:46:58.143045Z",
            "structure_string": "Nd12 Re12 W8 N48\n1.0\n-6.454589 6.454589 6.454589\n6.454589 -6.454589 6.454589\n6.454589 6.454589 -6.454589\nN Nd Re W\n48 12 12 8\ndirect\n0.194361 0.112917 0.011753 N\n0.317392 0.898836 0.011754 N\n0.887083 0.398836 0.081444 N\n0.694361 0.682608 0.081444 N\n0.988246 0.682608 0.101164 N\n0.612917 0.418556 0.101164 N\n0.011753 0.194361 0.112917 N\n0.601164 0.918556 0.112917 N\n0.194362 0.581444 0.182608 N\n0.488246 0.601163 0.182608 N\n0.112917 0.011753 0.194361 N\n0.581444 0.182608 0.194362 N\n0.488246 0.387083 0.305638 N\n0.317392 0.918555 0.305638 N\n0.898836 0.011754 0.317392 N\n0.918555 0.305638 0.317392 N\n0.305638 0.488246 0.387083 N\n0.581444 0.898836 0.387083 N\n0.817391 0.511753 0.398836 N\n0.081444 0.887083 0.398836 N\n0.817392 0.805638 0.418556 N\n0.101164 0.612917 0.418556 N\n0.387083 0.305638 0.488246 N\n0.601163 0.182608 0.488246 N\n0.398836 0.817391 0.511753 N\n0.612917 0.694362 0.511754 N\n0.182608 0.194362 0.581444 N\n0.898836 0.387083 0.581444 N\n0.182608 0.488246 0.601163 N\n0.918556 0.112917 0.601164 N\n0.418556 0.101164 0.612917 N\n0.694362 0.511754 0.612917 N\n0.081444 0.694361 0.682608 N\n0.101164 0.988246 0.682608 N\n0.682608 0.081444 0.694361 N\n0.511754 0.612917 0.694362 N\n0.887082 0.988246 0.805638 N\n0.418556 0.817392 0.805638 N\n0.511753 0.398836 0.817391 N\n0.805638 0.418556 0.817392 N\n0.988246 0.805638 0.887082 N\n0.398836 0.081444 0.887083 N\n0.387083 0.581444 0.898836 N\n0.011754 0.317392 0.898836 N\n0.305638 0.317392 0.918555 N\n0.112917 0.601164 0.918556 N\n0.805638 0.887082 0.988246 N\n0.682608 0.101164 0.988246 N\n0.375000 0.750000 0.124999 Nd\n0.250000 0.375000 0.125000 Nd\n0.375000 0.125000 0.250000 Nd\n0.875000 0.625000 0.250000 Nd\n0.750000 0.124999 0.375000 Nd\n0.125000 0.250000 0.375000 Nd\n0.875000 0.750000 0.624999 Nd\n0.250000 0.875000 0.625000 Nd\n0.124999 0.375000 0.750000 Nd\n0.624999 0.875000 0.750000 Nd\n0.625000 0.250000 0.875000 Nd\n0.750000 0.624999 0.875000 Nd\n0.875000 0.250000 0.125000 Re\n0.750000 0.875000 0.125000 Re\n0.624999 0.375000 0.250000 Re\n0.125000 0.875000 0.250000 Re\n0.250000 0.624999 0.375000 Re\n0.625000 0.750000 0.375000 Re\n0.375000 0.250000 0.624999 Re\n0.750000 0.375000 0.625000 Re\n0.875000 0.125000 0.750000 Re\n0.375000 0.625000 0.750000 Re\n0.250000 0.125000 0.875000 Re\n0.125000 0.750000 0.875000 Re\n0.000000 0.000000 0.000000 W\n0.499999 0.000000 0.000000 W\n0.000000 0.499999 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.499999 W\n0.499999 0.499999 0.499999 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "N",
                "Nd",
                "Re",
                "W"
            ],
            "chemical_system": "N-Nd-Re-W",
            "density": 9.430026182986044,
            "density_atomic": 0.07437452672163401,
            "volume": 1075.6370968170431,
            "volume_molar": 8.097047504637477,
            "formula_full": "Nd12 Re12 W8 N48",
            "formula_reduced": "Nd3Re3(WN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.709345319956104,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1277509",
            "created_at": "2022-09-04T15:42:02.014185Z",
            "updated_at": "2022-09-04T15:42:02.014216Z",
            "structure_string": "Y12 Fe20 O48\n1.0\n-5.720921 5.720921 5.720921\n5.720921 -5.720921 5.720921\n5.720921 5.720921 -5.720921\nFe O Y\n20 48 12\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.875000 0.250000 0.125000 Fe\n0.750000 0.875000 0.125000 Fe\n0.625000 0.375000 0.250000 Fe\n0.125000 0.875000 0.250000 Fe\n0.250000 0.625000 0.375000 Fe\n0.625000 0.750000 0.375000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.375000 0.250000 0.625000 Fe\n0.750000 0.375000 0.625000 Fe\n0.875000 0.125000 0.750000 Fe\n0.375000 0.625000 0.750000 Fe\n0.250000 0.125000 0.875000 Fe\n0.125000 0.750000 0.875000 Fe\n0.201800 0.121700 0.024500 O\n0.322700 0.902800 0.024500 O\n0.878300 0.402800 0.080100 O\n0.701800 0.677300 0.080100 O\n0.621700 0.419900 0.097200 O\n0.975500 0.677300 0.097200 O\n0.024500 0.201800 0.121700 O\n0.597200 0.919900 0.121700 O\n0.201800 0.580100 0.177300 O\n0.475500 0.597200 0.177300 O\n0.121700 0.024500 0.201800 O\n0.580100 0.177300 0.201800 O\n0.475500 0.378300 0.298200 O\n0.322700 0.919900 0.298200 O\n0.902800 0.024500 0.322700 O\n0.919900 0.298200 0.322700 O\n0.298200 0.475500 0.378300 O\n0.580100 0.902800 0.378300 O\n0.822700 0.524500 0.402800 O\n0.080100 0.878300 0.402800 O\n0.097200 0.621700 0.419900 O\n0.822700 0.798200 0.419900 O\n0.597200 0.177300 0.475500 O\n0.378300 0.298200 0.475500 O\n0.621700 0.701800 0.524500 O\n0.402800 0.822700 0.524500 O\n0.177300 0.201800 0.580100 O\n0.902800 0.378300 0.580100 O\n0.919900 0.121700 0.597200 O\n0.177300 0.475500 0.597200 O\n0.419900 0.097200 0.621700 O\n0.701800 0.524500 0.621700 O\n0.080100 0.701800 0.677300 O\n0.097200 0.975500 0.677300 O\n0.677300 0.080100 0.701800 O\n0.524500 0.621700 0.701800 O\n0.419900 0.822700 0.798200 O\n0.878300 0.975500 0.798200 O\n0.524500 0.402800 0.822700 O\n0.798200 0.419900 0.822700 O\n0.402800 0.080100 0.878300 O\n0.975500 0.798200 0.878300 O\n0.024500 0.322700 0.902800 O\n0.378300 0.580100 0.902800 O\n0.298200 0.322700 0.919900 O\n0.121700 0.597200 0.919900 O\n0.677300 0.097200 0.975500 O\n0.798200 0.878300 0.975500 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\n0.750000 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": 3,
            "elements": [
                "Fe",
                "O",
                "Y"
            ],
            "chemical_system": "Fe-O-Y",
            "density": 6.544395853006068,
            "density_atomic": 0.1068149751318527,
            "volume": 748.9586539831871,
            "volume_molar": 5.637918047133609,
            "formula_full": "Y12 Fe20 O48",
            "formula_reduced": "Y3Fe5O12",
            "formula_anonymous": "A3B5C12",
            "formation_energy": -2.45755200063081,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1277466",
            "created_at": "2022-09-04T15:42:01.985699Z",
            "updated_at": "2022-09-04T15:42:01.985727Z",
            "structure_string": "Y8 Cd12 Ge12 O48\n1.0\n-5.690227 5.690227 5.690227\n5.690227 -5.690227 5.690227\n5.690227 5.690227 -5.690227\nCd Ge O Y\n12 12 48 8\ndirect\n0.250000 0.375000 0.125000 Cd\n0.375000 0.750000 0.125000 Cd\n0.375000 0.125000 0.250000 Cd\n0.875000 0.625000 0.250000 Cd\n0.750000 0.125000 0.375000 Cd\n0.125000 0.250000 0.375000 Cd\n0.875000 0.750000 0.625000 Cd\n0.250000 0.875000 0.625000 Cd\n0.125000 0.375000 0.750000 Cd\n0.625000 0.875000 0.750000 Cd\n0.625000 0.250000 0.875000 Cd\n0.750000 0.625000 0.875000 Cd\n0.875000 0.250000 0.125000 Ge\n0.750000 0.875000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.125000 0.875000 0.250000 Ge\n0.250000 0.625000 0.375000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.750000 0.375000 0.625000 Ge\n0.875000 0.125000 0.750000 Ge\n0.375000 0.625000 0.750000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.750000 0.875000 Ge\n0.210800 0.119560 0.012200 O\n0.301400 0.892640 0.012200 O\n0.880440 0.392640 0.091240 O\n0.710800 0.698600 0.091240 O\n0.619560 0.408760 0.107360 O\n0.987800 0.698600 0.107360 O\n0.012200 0.210800 0.119560 O\n0.607360 0.908760 0.119560 O\n0.210800 0.591240 0.198600 O\n0.487800 0.607360 0.198600 O\n0.119560 0.012200 0.210800 O\n0.591240 0.198600 0.210800 O\n0.487800 0.380440 0.289200 O\n0.301400 0.908760 0.289200 O\n0.892640 0.012200 0.301400 O\n0.908760 0.289200 0.301400 O\n0.289200 0.487800 0.380440 O\n0.591240 0.892640 0.380440 O\n0.801400 0.512200 0.392640 O\n0.091240 0.880440 0.392640 O\n0.107360 0.619560 0.408760 O\n0.801400 0.789200 0.408760 O\n0.607360 0.198600 0.487800 O\n0.380440 0.289200 0.487800 O\n0.619560 0.710800 0.512200 O\n0.392640 0.801400 0.512200 O\n0.198600 0.210800 0.591240 O\n0.892640 0.380440 0.591240 O\n0.908760 0.119560 0.607360 O\n0.198600 0.487800 0.607360 O\n0.408760 0.107360 0.619560 O\n0.710800 0.512200 0.619560 O\n0.091240 0.710800 0.698600 O\n0.107360 0.987800 0.698600 O\n0.698600 0.091240 0.710800 O\n0.512200 0.619560 0.710800 O\n0.408760 0.801400 0.789200 O\n0.880440 0.987800 0.789200 O\n0.512200 0.392640 0.801400 O\n0.789200 0.408760 0.801400 O\n0.392640 0.091240 0.880440 O\n0.987800 0.789200 0.880440 O\n0.012200 0.301400 0.892640 O\n0.380440 0.591240 0.892640 O\n0.289200 0.301400 0.908760 O\n0.119560 0.607360 0.908760 O\n0.698600 0.107360 0.987800 O\n0.789200 0.880440 0.987800 O\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.500000 Y\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Cd",
                "Ge",
                "O",
                "Y"
            ],
            "chemical_system": "Cd-Ge-O-Y",
            "density": 8.336468232805597,
            "density_atomic": 0.10855284736125277,
            "volume": 736.968232014847,
            "volume_molar": 5.5476580360521845,
            "formula_full": "Y8 Cd12 Ge12 O48",
            "formula_reduced": "Y2Cd3(GeO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.23134565540225,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1277511",
            "created_at": "2022-09-04T15:42:03.390047Z",
            "updated_at": "2022-09-04T15:42:03.390059Z",
            "structure_string": "Ga8 Co12 Si12 O48\n1.0\n-5.800511 5.800511 5.800511\n5.800511 -5.800511 5.800511\n5.800511 5.800511 -5.800511\nCo Ga O Si\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Co\n0.375000 0.750000 0.125000 Co\n0.375000 0.125000 0.250000 Co\n0.875000 0.625000 0.250000 Co\n0.750000 0.125000 0.375000 Co\n0.125000 0.250000 0.375000 Co\n0.875000 0.750000 0.625000 Co\n0.250000 0.875000 0.625000 Co\n0.125000 0.375000 0.750000 Co\n0.625000 0.875000 0.750000 Co\n0.625000 0.250000 0.875000 Co\n0.750000 0.625000 0.875000 Co\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.203400 0.119000 0.016800 O\n0.313400 0.897800 0.016800 O\n0.881000 0.397800 0.084400 O\n0.703400 0.686600 0.084400 O\n0.619000 0.415600 0.102200 O\n0.983200 0.686600 0.102200 O\n0.016800 0.203400 0.119000 O\n0.602200 0.915600 0.119000 O\n0.203400 0.584400 0.186600 O\n0.483200 0.602200 0.186600 O\n0.119000 0.016800 0.203400 O\n0.584400 0.186600 0.203400 O\n0.483200 0.381000 0.296600 O\n0.313400 0.915600 0.296600 O\n0.897800 0.016800 0.313400 O\n0.915600 0.296600 0.313400 O\n0.296600 0.483200 0.381000 O\n0.584400 0.897800 0.381000 O\n0.813400 0.516800 0.397800 O\n0.084400 0.881000 0.397800 O\n0.102200 0.619000 0.415600 O\n0.813400 0.796600 0.415600 O\n0.602200 0.186600 0.483200 O\n0.381000 0.296600 0.483200 O\n0.619000 0.703400 0.516800 O\n0.397800 0.813400 0.516800 O\n0.186600 0.203400 0.584400 O\n0.897800 0.381000 0.584400 O\n0.915600 0.119000 0.602200 O\n0.186600 0.483200 0.602200 O\n0.415600 0.102200 0.619000 O\n0.703400 0.516800 0.619000 O\n0.084400 0.703400 0.686600 O\n0.102200 0.983200 0.686600 O\n0.686600 0.084400 0.703400 O\n0.516800 0.619000 0.703400 O\n0.415600 0.813400 0.796600 O\n0.881000 0.983200 0.796600 O\n0.516800 0.397800 0.813400 O\n0.796600 0.415600 0.813400 O\n0.397800 0.084400 0.881000 O\n0.983200 0.796600 0.881000 O\n0.016800 0.313400 0.897800 O\n0.381000 0.584400 0.897800 O\n0.296600 0.313400 0.915600 O\n0.119000 0.602200 0.915600 O\n0.686600 0.102200 0.983200 O\n0.796600 0.881000 0.983200 O\n0.875000 0.250000 0.125000 Si\n0.750000 0.875000 0.125000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.750000 0.875000 Si\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Co",
                "Ga",
                "O",
                "Si"
            ],
            "chemical_system": "Co-Ga-O-Si",
            "density": 5.041211737378975,
            "density_atomic": 0.10247813934782483,
            "volume": 780.6542986545554,
            "volume_molar": 5.876512589246015,
            "formula_full": "Ga8 Co12 Si12 O48",
            "formula_reduced": "Ga2Co3(SiO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.24680194244261,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350753",
            "created_at": "2022-09-04T15:46:58.104124Z",
            "updated_at": "2022-09-04T15:46:58.104151Z",
            "structure_string": "Ca12 Re8 Mo12 N48\n1.0\n-6.384933 6.384933 6.384933\n6.384933 -6.384933 6.384933\n6.384933 6.384933 -6.384933\nCa Mo N Re\n12 12 48 8\ndirect\n0.250000 0.375000 0.125000 Ca\n0.375000 0.750000 0.125001 Ca\n0.375000 0.125000 0.250000 Ca\n0.875001 0.625000 0.250000 Ca\n0.750000 0.125001 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.250000 0.875001 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.125001 0.375000 0.750000 Ca\n0.625000 0.875000 0.750000 Ca\n0.750000 0.625000 0.875000 Ca\n0.625000 0.250000 0.875001 Ca\n0.750000 0.875000 0.125000 Mo\n0.875000 0.250000 0.125000 Mo\n0.125000 0.875000 0.250000 Mo\n0.625000 0.375000 0.250000 Mo\n0.625000 0.750000 0.375000 Mo\n0.250000 0.625000 0.375000 Mo\n0.750000 0.375000 0.625000 Mo\n0.375000 0.250000 0.625000 Mo\n0.375000 0.625000 0.750000 Mo\n0.875000 0.125000 0.750000 Mo\n0.250000 0.125000 0.875000 Mo\n0.125000 0.750000 0.875000 Mo\n0.191780 0.111011 0.012201 N\n0.320421 0.901190 0.012201 N\n0.888989 0.401190 0.080769 N\n0.691781 0.679580 0.080770 N\n0.611011 0.419231 0.098810 N\n0.987800 0.679580 0.098811 N\n0.012201 0.191780 0.111011 N\n0.598811 0.919231 0.111011 N\n0.191781 0.580770 0.179580 N\n0.487799 0.598810 0.179580 N\n0.111011 0.012201 0.191780 N\n0.580770 0.179580 0.191781 N\n0.487799 0.388988 0.308219 N\n0.320421 0.919231 0.308219 N\n0.919231 0.308219 0.320421 N\n0.901190 0.012201 0.320421 N\n0.308219 0.487799 0.388988 N\n0.580770 0.901190 0.388989 N\n0.820421 0.512201 0.401190 N\n0.080769 0.888989 0.401190 N\n0.098810 0.611011 0.419231 N\n0.820421 0.808220 0.419231 N\n0.598810 0.179580 0.487799 N\n0.388988 0.308219 0.487799 N\n0.401190 0.820421 0.512201 N\n0.611011 0.691781 0.512201 N\n0.179580 0.191781 0.580770 N\n0.901190 0.388989 0.580770 N\n0.179580 0.487799 0.598810 N\n0.919231 0.111011 0.598811 N\n0.419231 0.098810 0.611011 N\n0.691781 0.512201 0.611011 N\n0.080770 0.691781 0.679580 N\n0.098811 0.987800 0.679580 N\n0.679580 0.080770 0.691781 N\n0.512201 0.611011 0.691781 N\n0.888989 0.987799 0.808219 N\n0.419231 0.820421 0.808220 N\n0.512201 0.401190 0.820421 N\n0.808220 0.419231 0.820421 N\n0.401190 0.080769 0.888989 N\n0.987799 0.808219 0.888989 N\n0.388989 0.580770 0.901190 N\n0.012201 0.320421 0.901190 N\n0.308219 0.320421 0.919231 N\n0.111011 0.598811 0.919231 N\n0.808219 0.888989 0.987799 N\n0.679580 0.098811 0.987800 N\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\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mo",
                "N",
                "Re"
            ],
            "chemical_system": "Ca-Mo-N-Re",
            "density": 6.05117287156825,
            "density_atomic": 0.0768353302968423,
            "volume": 1041.187689191046,
            "volume_molar": 7.837723527359513,
            "formula_full": "Ca12 Re8 Mo12 N48",
            "formula_reduced": "Ca3Re2(MoN4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.517415908831104,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1277403",
            "created_at": "2022-09-04T15:42:03.543319Z",
            "updated_at": "2022-09-04T15:42:03.543333Z",
            "structure_string": "Mn12 In8 Si12 O48\n1.0\n-6.052903 6.052903 6.052903\n6.052903 -6.052903 6.052903\n6.052903 6.052903 -6.052903\nIn Mn O Si\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.250000 0.375000 0.125000 Mn\n0.375000 0.750000 0.125000 Mn\n0.375000 0.125000 0.250000 Mn\n0.875000 0.625000 0.250000 Mn\n0.750000 0.125000 0.375000 Mn\n0.125000 0.250000 0.375000 Mn\n0.875000 0.750000 0.625000 Mn\n0.250000 0.875000 0.625000 Mn\n0.125000 0.375000 0.750000 Mn\n0.625000 0.875000 0.750000 Mn\n0.625000 0.250000 0.875000 Mn\n0.750000 0.625000 0.875000 Mn\n0.313230 0.894350 0.012300 O\n0.199070 0.117950 0.012300 O\n0.882050 0.394350 0.081120 O\n0.699070 0.686770 0.081120 O\n0.617950 0.418880 0.105650 O\n0.987700 0.686770 0.105650 O\n0.012300 0.199070 0.117950 O\n0.605650 0.918880 0.117950 O\n0.199070 0.581120 0.186770 O\n0.487700 0.605650 0.186770 O\n0.117950 0.012300 0.199070 O\n0.581120 0.186770 0.199070 O\n0.487700 0.382050 0.300930 O\n0.313230 0.918880 0.300930 O\n0.894350 0.012300 0.313230 O\n0.918880 0.300930 0.313230 O\n0.300930 0.487700 0.382050 O\n0.581120 0.894350 0.382050 O\n0.813230 0.512300 0.394350 O\n0.081120 0.882050 0.394350 O\n0.105650 0.617950 0.418880 O\n0.813230 0.800930 0.418880 O\n0.605650 0.186770 0.487700 O\n0.382050 0.300930 0.487700 O\n0.617950 0.699070 0.512300 O\n0.394350 0.813230 0.512300 O\n0.186770 0.199070 0.581120 O\n0.894350 0.382050 0.581120 O\n0.918880 0.117950 0.605650 O\n0.186770 0.487700 0.605650 O\n0.418880 0.105650 0.617950 O\n0.699070 0.512300 0.617950 O\n0.081120 0.699070 0.686770 O\n0.105650 0.987700 0.686770 O\n0.686770 0.081120 0.699070 O\n0.512300 0.617950 0.699070 O\n0.418880 0.813230 0.800930 O\n0.882050 0.987700 0.800930 O\n0.512300 0.394350 0.813230 O\n0.800930 0.418880 0.813230 O\n0.394350 0.081120 0.882050 O\n0.987700 0.800930 0.882050 O\n0.012300 0.313230 0.894350 O\n0.382050 0.581120 0.894350 O\n0.300930 0.313230 0.918880 O\n0.117950 0.605650 0.918880 O\n0.686770 0.105650 0.987700 O\n0.800930 0.882050 0.987700 O\n0.875000 0.250000 0.125000 Si\n0.750000 0.875000 0.125000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.750000 0.875000 Si\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "In",
                "Mn",
                "O",
                "Si"
            ],
            "chemical_system": "In-Mn-O-Si",
            "density": 5.022106234128342,
            "density_atomic": 0.09018594346675125,
            "volume": 887.0561966177523,
            "volume_molar": 6.6774715975779255,
            "formula_full": "Mn12 In8 Si12 O48",
            "formula_reduced": "Mn3In2(SiO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.44644115123403,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350592",
            "created_at": "2022-09-04T15:46:58.104029Z",
            "updated_at": "2022-09-04T15:46:58.104056Z",
            "structure_string": "Y12 Ta12 W8 N48\n1.0\n-6.405372 6.405372 6.405372\n6.405372 -6.405372 6.405372\n6.405372 6.405372 -6.405372\nN Ta W Y\n48 12 8 12\ndirect\n0.324198 0.906730 0.023821 N\n0.199624 0.117092 0.023822 N\n0.882909 0.406731 0.082532 N\n0.699624 0.675802 0.082532 N\n0.617091 0.417468 0.093269 N\n0.976178 0.675802 0.093269 N\n0.593269 0.917467 0.117091 N\n0.023822 0.199624 0.117092 N\n0.199623 0.582532 0.175802 N\n0.476178 0.593270 0.175802 N\n0.582532 0.175802 0.199623 N\n0.117092 0.023822 0.199624 N\n0.476178 0.382909 0.300377 N\n0.324198 0.917468 0.300377 N\n0.906730 0.023821 0.324198 N\n0.917468 0.300377 0.324198 N\n0.300377 0.476178 0.382909 N\n0.582532 0.906731 0.382909 N\n0.082532 0.882909 0.406731 N\n0.824199 0.523822 0.406731 N\n0.093269 0.617091 0.417468 N\n0.824198 0.800377 0.417468 N\n0.593270 0.175802 0.476178 N\n0.382909 0.300377 0.476178 N\n0.617091 0.699623 0.523821 N\n0.406731 0.824199 0.523822 N\n0.175802 0.199623 0.582532 N\n0.906731 0.382909 0.582532 N\n0.917467 0.117091 0.593269 N\n0.175802 0.476178 0.593270 N\n0.699623 0.523821 0.617091 N\n0.417468 0.093269 0.617091 N\n0.082532 0.699624 0.675802 N\n0.093269 0.976178 0.675802 N\n0.523821 0.617091 0.699623 N\n0.675802 0.082532 0.699624 N\n0.417468 0.824198 0.800377 N\n0.882910 0.976179 0.800377 N\n0.800377 0.417468 0.824198 N\n0.523822 0.406731 0.824199 N\n0.406731 0.082532 0.882909 N\n0.976179 0.800377 0.882910 N\n0.023821 0.324198 0.906730 N\n0.382909 0.582532 0.906731 N\n0.117091 0.593269 0.917467 N\n0.300377 0.324198 0.917468 N\n0.675802 0.093269 0.976178 N\n0.800377 0.882910 0.976179 N\n0.875000 0.250000 0.125000 Ta\n0.750000 0.875000 0.125000 Ta\n0.125000 0.875000 0.250000 Ta\n0.625000 0.375000 0.250000 Ta\n0.250000 0.625000 0.375000 Ta\n0.625000 0.750000 0.375000 Ta\n0.750000 0.375000 0.625000 Ta\n0.375000 0.250000 0.625000 Ta\n0.375000 0.625000 0.750000 Ta\n0.875000 0.125000 0.750000 Ta\n0.250000 0.125000 0.875000 Ta\n0.125000 0.750000 0.875000 Ta\n0.000000 0.000000 0.000000 W\n0.500001 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500001 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500001 W\n0.500001 0.500001 0.500001 W\n0.250000 0.375000 0.125000 Y\n0.375000 0.750000 0.125001 Y\n0.375000 0.125000 0.250000 Y\n0.875000 0.625000 0.250000 Y\n0.750000 0.125001 0.375000 Y\n0.125000 0.250000 0.375000 Y\n0.250000 0.875000 0.625000 Y\n0.875000 0.750000 0.625000 Y\n0.125001 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": [
                "N",
                "Ta",
                "W",
                "Y"
            ],
            "chemical_system": "N-Ta-W-Y",
            "density": 8.50045432895629,
            "density_atomic": 0.07610214968841257,
            "volume": 1051.218662384,
            "volume_molar": 7.913233443019207,
            "formula_full": "Y12 Ta12 W8 N48",
            "formula_reduced": "Y3Ta3(WN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.1109713432061,
            "spacegroup": 230
        }
    ]
}