GET /third-parties/OqmdStructure/?format=api&ordering=-nsites&page=58
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=59",
    "previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=57",
    "results": [
        {
            "id": "oqmd-1350496",
            "created_at": "2022-09-04T15:46:58.533935Z",
            "updated_at": "2022-09-04T15:46:58.533958Z",
            "structure_string": "Sm12 Mo12 W8 N48\n1.0\n-6.413064 6.413064 6.413064\n6.413064 -6.413064 6.413064\n6.413064 6.413064 -6.413064\nMo N Sm W\n12 48 12 8\ndirect\n0.750000 0.875001 0.125000 Mo\n0.875000 0.250000 0.125000 Mo\n0.625000 0.375000 0.250000 Mo\n0.125000 0.875000 0.250000 Mo\n0.625000 0.750000 0.375000 Mo\n0.250000 0.625000 0.375000 Mo\n0.375000 0.250000 0.625000 Mo\n0.750000 0.375000 0.625000 Mo\n0.375000 0.625000 0.750000 Mo\n0.875001 0.125000 0.750000 Mo\n0.250000 0.125000 0.875000 Mo\n0.125000 0.750000 0.875001 Mo\n0.319399 0.902474 0.017329 N\n0.197930 0.114854 0.017329 N\n0.885146 0.402475 0.083076 N\n0.697930 0.680601 0.083076 N\n0.614854 0.416925 0.097525 N\n0.982671 0.680601 0.097525 N\n0.597525 0.916924 0.114854 N\n0.017329 0.197930 0.114854 N\n0.197930 0.583075 0.180601 N\n0.482671 0.597525 0.180601 N\n0.583075 0.180601 0.197930 N\n0.114854 0.017329 0.197930 N\n0.319400 0.916924 0.302070 N\n0.482671 0.385146 0.302070 N\n0.902474 0.017329 0.319399 N\n0.916924 0.302070 0.319400 N\n0.302070 0.482671 0.385146 N\n0.583076 0.902475 0.385146 N\n0.819399 0.517329 0.402475 N\n0.083076 0.885146 0.402475 N\n0.819399 0.802070 0.416924 N\n0.097525 0.614854 0.416925 N\n0.597525 0.180601 0.482671 N\n0.385146 0.302070 0.482671 N\n0.614854 0.697929 0.517328 N\n0.402475 0.819399 0.517329 N\n0.180601 0.197930 0.583075 N\n0.902475 0.385146 0.583076 N\n0.916924 0.114854 0.597525 N\n0.180601 0.482671 0.597525 N\n0.697929 0.517328 0.614854 N\n0.416925 0.097525 0.614854 N\n0.097525 0.982671 0.680601 N\n0.083076 0.697930 0.680601 N\n0.517328 0.614854 0.697929 N\n0.680601 0.083076 0.697930 N\n0.416924 0.819399 0.802070 N\n0.885146 0.982671 0.802070 N\n0.802070 0.416924 0.819399 N\n0.517329 0.402475 0.819399 N\n0.402475 0.083076 0.885146 N\n0.982671 0.802070 0.885146 N\n0.017329 0.319399 0.902474 N\n0.385146 0.583076 0.902475 N\n0.114854 0.597525 0.916924 N\n0.302070 0.319400 0.916924 N\n0.680601 0.097525 0.982671 N\n0.802070 0.885146 0.982671 N\n0.374999 0.750000 0.125000 Sm\n0.250000 0.375000 0.125000 Sm\n0.375000 0.125000 0.250000 Sm\n0.875000 0.625000 0.250000 Sm\n0.750000 0.125000 0.374999 Sm\n0.125000 0.250000 0.375000 Sm\n0.875000 0.750000 0.625000 Sm\n0.250000 0.875000 0.625000 Sm\n0.125000 0.374999 0.750000 Sm\n0.625000 0.875000 0.750000 Sm\n0.625000 0.250000 0.875000 Sm\n0.750000 0.625000 0.875000 Sm\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Mo",
                "N",
                "Sm",
                "W"
            ],
            "chemical_system": "Mo-N-Sm-W",
            "density": 8.025033778805243,
            "density_atomic": 0.07582864116029801,
            "volume": 1055.010333508205,
            "volume_molar": 7.941775914551194,
            "formula_full": "Sm12 Mo12 W8 N48",
            "formula_reduced": "Sm3Mo3(WN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.854642727331102,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350768",
            "created_at": "2022-09-04T15:46:58.145361Z",
            "updated_at": "2022-09-04T15:46:58.145387Z",
            "structure_string": "Dy12 Ta12 Re8 N48\n1.0\n-6.381325 6.381325 6.381325\n6.381325 -6.381325 6.381325\n6.381325 6.381325 -6.381325\nDy N Re Ta\n12 48 8 12\ndirect\n0.250000 0.375000 0.125000 Dy\n0.375000 0.750000 0.125000 Dy\n0.375000 0.125000 0.250000 Dy\n0.875000 0.625000 0.250000 Dy\n0.125000 0.250000 0.375000 Dy\n0.750000 0.125000 0.375000 Dy\n0.875000 0.750000 0.624999 Dy\n0.250000 0.875000 0.625000 Dy\n0.125000 0.375000 0.750000 Dy\n0.624999 0.875000 0.750000 Dy\n0.750000 0.624999 0.875000 Dy\n0.625000 0.250000 0.875000 Dy\n0.324890 0.908033 0.024066 N\n0.199176 0.116034 0.024067 N\n0.699176 0.675109 0.083143 N\n0.883967 0.408034 0.083143 N\n0.975933 0.675109 0.091966 N\n0.616033 0.416857 0.091967 N\n0.591966 0.916857 0.116033 N\n0.024067 0.199176 0.116034 N\n0.475933 0.591967 0.175109 N\n0.199176 0.583143 0.175109 N\n0.583143 0.175109 0.199176 N\n0.116034 0.024067 0.199176 N\n0.324890 0.916857 0.300824 N\n0.475933 0.383967 0.300824 N\n0.908033 0.024066 0.324890 N\n0.916857 0.300824 0.324890 N\n0.583143 0.908034 0.383966 N\n0.300824 0.475933 0.383967 N\n0.083143 0.883967 0.408034 N\n0.824891 0.524067 0.408034 N\n0.091967 0.616033 0.416857 N\n0.824891 0.800823 0.416857 N\n0.591967 0.175109 0.475933 N\n0.383967 0.300824 0.475933 N\n0.616033 0.699176 0.524067 N\n0.408034 0.824891 0.524067 N\n0.175109 0.199176 0.583143 N\n0.908034 0.383966 0.583143 N\n0.916857 0.116033 0.591966 N\n0.175109 0.475933 0.591967 N\n0.416857 0.091967 0.616033 N\n0.699176 0.524067 0.616033 N\n0.091966 0.975933 0.675109 N\n0.083143 0.699176 0.675109 N\n0.675109 0.083143 0.699176 N\n0.524067 0.616033 0.699176 N\n0.416857 0.824891 0.800823 N\n0.883967 0.975934 0.800824 N\n0.524067 0.408034 0.824891 N\n0.800823 0.416857 0.824891 N\n0.408034 0.083143 0.883967 N\n0.975934 0.800824 0.883967 N\n0.024066 0.324890 0.908033 N\n0.383966 0.583143 0.908034 N\n0.300824 0.324890 0.916857 N\n0.116033 0.591966 0.916857 N\n0.675109 0.091966 0.975933 N\n0.800824 0.883967 0.975934 N\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 0.500000 0.500000 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n0.875000 0.250001 0.125000 Ta\n0.750000 0.875000 0.125000 Ta\n0.624999 0.375000 0.250000 Ta\n0.125000 0.875000 0.250001 Ta\n0.250000 0.624999 0.375000 Ta\n0.625000 0.750000 0.375000 Ta\n0.375000 0.250000 0.624999 Ta\n0.750000 0.375000 0.625000 Ta\n0.875000 0.125000 0.750000 Ta\n0.375000 0.625000 0.750000 Ta\n0.250001 0.125000 0.875000 Ta\n0.125000 0.750000 0.875000 Ta\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Dy",
                "N",
                "Re",
                "Ta"
            ],
            "chemical_system": "Dy-N-Re-Ta",
            "density": 10.038016749124353,
            "density_atomic": 0.0769657320437119,
            "volume": 1039.4236223799548,
            "volume_molar": 7.824444204051468,
            "formula_full": "Dy12 Ta12 Re8 N48",
            "formula_reduced": "Dy3Ta3(ReN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.910012926581103,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350781",
            "created_at": "2022-09-04T15:46:58.188105Z",
            "updated_at": "2022-09-04T15:46:58.188121Z",
            "structure_string": "Yb12 Sb12 Mo8 O48\n1.0\n-6.493292 6.493292 6.493292\n6.493292 -6.493292 6.493292\n6.493292 6.493292 -6.493292\nMo O Sb Yb\n8 48 12 12\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500001 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500001 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500001 Mo\n0.500001 0.500001 0.500001 Mo\n0.333332 0.918834 0.037163 O\n0.203832 0.118329 0.037164 O\n0.618329 0.414497 0.081165 O\n0.962837 0.666668 0.081165 O\n0.881671 0.418835 0.085503 O\n0.703832 0.666668 0.085503 O\n0.581165 0.914497 0.118328 O\n0.037164 0.203832 0.118329 O\n0.462837 0.581166 0.166668 O\n0.203831 0.585503 0.166668 O\n0.585503 0.166668 0.203831 O\n0.118329 0.037164 0.203832 O\n0.462837 0.381672 0.296169 O\n0.333332 0.914498 0.296169 O\n0.918834 0.037163 0.333332 O\n0.914498 0.296169 0.333332 O\n0.296169 0.462837 0.381672 O\n0.585503 0.918835 0.381672 O\n0.081165 0.618329 0.414497 O\n0.833332 0.796169 0.414497 O\n0.085503 0.881671 0.418835 O\n0.833332 0.537164 0.418835 O\n0.581166 0.166668 0.462837 O\n0.381672 0.296169 0.462837 O\n0.618328 0.703831 0.537163 O\n0.418835 0.833332 0.537164 O\n0.914497 0.118328 0.581165 O\n0.166668 0.462837 0.581166 O\n0.166668 0.203831 0.585503 O\n0.918835 0.381672 0.585503 O\n0.703831 0.537163 0.618328 O\n0.414497 0.081165 0.618329 O\n0.085503 0.703832 0.666668 O\n0.081165 0.962837 0.666668 O\n0.537163 0.618328 0.703831 O\n0.666668 0.085503 0.703832 O\n0.414497 0.833332 0.796169 O\n0.881672 0.962838 0.796169 O\n0.796169 0.414497 0.833332 O\n0.537164 0.418835 0.833332 O\n0.418835 0.085503 0.881671 O\n0.962838 0.796169 0.881672 O\n0.118328 0.581165 0.914497 O\n0.296169 0.333332 0.914498 O\n0.037163 0.333332 0.918834 O\n0.381672 0.585503 0.918835 O\n0.666668 0.081165 0.962837 O\n0.796169 0.881672 0.962838 O\n0.750000 0.875000 0.125000 Sb\n0.875000 0.250000 0.125000 Sb\n0.125000 0.875000 0.250000 Sb\n0.625000 0.375000 0.250000 Sb\n0.250000 0.625000 0.375000 Sb\n0.625000 0.750000 0.375000 Sb\n0.750000 0.375000 0.625000 Sb\n0.375000 0.250000 0.625000 Sb\n0.875000 0.125000 0.750000 Sb\n0.375000 0.625000 0.750000 Sb\n0.250000 0.125000 0.875000 Sb\n0.125000 0.750000 0.875000 Sb\n0.250000 0.375000 0.125000 Yb\n0.375000 0.750000 0.125001 Yb\n0.375000 0.125000 0.250000 Yb\n0.875000 0.625000 0.250000 Yb\n0.750000 0.125001 0.375000 Yb\n0.125000 0.250000 0.375000 Yb\n0.250000 0.875000 0.625000 Yb\n0.875000 0.750000 0.625000 Yb\n0.125001 0.375000 0.750000 Yb\n0.625000 0.875000 0.750000 Yb\n0.625000 0.250000 0.875000 Yb\n0.750000 0.625000 0.875000 Yb\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Mo",
                "O",
                "Sb",
                "Yb"
            ],
            "chemical_system": "Mo-O-Sb-Yb",
            "density": 7.6924906312965895,
            "density_atomic": 0.07305251897329713,
            "volume": 1095.1025525792256,
            "volume_molar": 8.243577147834246,
            "formula_full": "Yb12 Sb12 Mo8 O48",
            "formula_reduced": "Yb3Sb3(MoO6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.15655677990225,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350575",
            "created_at": "2022-09-04T15:46:58.781497Z",
            "updated_at": "2022-09-04T15:46:58.781534Z",
            "structure_string": "Dy12 Re12 W8 N48\n1.0\n-6.347275 6.347275 6.347275\n6.347275 -6.347275 6.347275\n6.347275 6.347275 -6.347275\nDy N Re W\n12 48 12 8\ndirect\n0.250000 0.375000 0.125000 Dy\n0.375000 0.750001 0.125000 Dy\n0.375000 0.125000 0.250000 Dy\n0.875000 0.625000 0.250000 Dy\n0.750001 0.125000 0.375000 Dy\n0.125000 0.250000 0.375000 Dy\n0.250000 0.875000 0.625000 Dy\n0.875001 0.750001 0.625000 Dy\n0.125000 0.375000 0.750001 Dy\n0.625000 0.875001 0.750001 Dy\n0.625000 0.250000 0.875000 Dy\n0.750001 0.625000 0.875001 Dy\n0.318616 0.902453 0.019719 N\n0.201103 0.117267 0.019719 N\n0.882734 0.402452 0.083836 N\n0.701102 0.681384 0.083836 N\n0.617266 0.416164 0.097548 N\n0.980282 0.681385 0.097548 N\n0.597549 0.916165 0.117267 N\n0.019719 0.201103 0.117267 N\n0.201103 0.583836 0.181384 N\n0.480282 0.597549 0.181384 N\n0.117267 0.019719 0.201103 N\n0.583836 0.181384 0.201103 N\n0.480282 0.382734 0.298898 N\n0.318615 0.916164 0.298898 N\n0.916164 0.298898 0.318615 N\n0.902453 0.019719 0.318616 N\n0.298898 0.480282 0.382734 N\n0.583836 0.902452 0.382734 N\n0.083836 0.882734 0.402452 N\n0.818616 0.519718 0.402452 N\n0.097548 0.617266 0.416164 N\n0.818617 0.798898 0.416164 N\n0.597549 0.181384 0.480282 N\n0.382734 0.298898 0.480282 N\n0.402452 0.818616 0.519718 N\n0.617267 0.701103 0.519719 N\n0.902452 0.382734 0.583836 N\n0.181384 0.201103 0.583836 N\n0.916165 0.117267 0.597549 N\n0.181384 0.480282 0.597549 N\n0.416164 0.097548 0.617266 N\n0.701103 0.519719 0.617267 N\n0.083836 0.701102 0.681384 N\n0.097548 0.980282 0.681385 N\n0.681384 0.083836 0.701102 N\n0.519719 0.617267 0.701103 N\n0.416164 0.818617 0.798898 N\n0.882734 0.980282 0.798898 N\n0.519718 0.402452 0.818616 N\n0.798898 0.416164 0.818617 N\n0.402452 0.083836 0.882734 N\n0.980282 0.798898 0.882734 N\n0.382734 0.583836 0.902452 N\n0.019719 0.318616 0.902453 N\n0.298898 0.318615 0.916164 N\n0.117267 0.597549 0.916165 N\n0.681385 0.097548 0.980282 N\n0.798898 0.882734 0.980282 N\n0.875001 0.250000 0.125000 Re\n0.750000 0.875000 0.125000 Re\n0.625000 0.375000 0.250000 Re\n0.125000 0.875001 0.250000 Re\n0.250000 0.625000 0.375000 Re\n0.625000 0.750001 0.375000 Re\n0.375000 0.250000 0.625000 Re\n0.750001 0.375000 0.625000 Re\n0.875000 0.125000 0.750000 Re\n0.375000 0.625000 0.750001 Re\n0.125000 0.750000 0.875000 Re\n0.250000 0.125000 0.875001 Re\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Dy",
                "N",
                "Re",
                "W"
            ],
            "chemical_system": "Dy-N-Re-W",
            "density": 10.272143376723927,
            "density_atomic": 0.07821103825218602,
            "volume": 1022.8735200016856,
            "volume_molar": 7.699860396408533,
            "formula_full": "Dy12 Re12 W8 N48",
            "formula_reduced": "Dy3Re3(WN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.720467700206103,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350796",
            "created_at": "2022-09-04T15:46:58.221083Z",
            "updated_at": "2022-09-04T15:46:58.221104Z",
            "structure_string": "Pr12 Sn12 Mo8 O48\n1.0\n-6.642223 6.642223 6.642223\n6.642223 -6.642223 6.642223\n6.642223 6.642223 -6.642223\nMo O Pr Sn\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 0.000000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.204943 0.121961 0.039713 O\n0.334770 0.917752 0.039713 O\n0.960286 0.665229 0.082247 O\n0.621961 0.417019 0.082247 O\n0.704943 0.665230 0.082982 O\n0.878039 0.417752 0.082982 O\n0.582247 0.917018 0.121961 O\n0.039713 0.204943 0.121961 O\n0.460286 0.582247 0.165229 O\n0.204943 0.582982 0.165229 O\n0.121961 0.039713 0.204943 O\n0.582982 0.165229 0.204943 O\n0.460286 0.378039 0.295057 O\n0.334771 0.917018 0.295057 O\n0.917752 0.039713 0.334770 O\n0.917018 0.295057 0.334771 O\n0.295057 0.460286 0.378039 O\n0.582982 0.917752 0.378039 O\n0.834770 0.795057 0.417018 O\n0.082247 0.621961 0.417019 O\n0.082982 0.878039 0.417752 O\n0.834771 0.539714 0.417752 O\n0.378039 0.295057 0.460286 O\n0.582247 0.165229 0.460286 O\n0.621960 0.704942 0.539713 O\n0.417752 0.834771 0.539714 O\n0.917018 0.121961 0.582247 O\n0.165229 0.460286 0.582247 O\n0.165229 0.204943 0.582982 O\n0.917752 0.378039 0.582982 O\n0.704942 0.539713 0.621960 O\n0.417019 0.082247 0.621961 O\n0.082247 0.960286 0.665229 O\n0.082982 0.704943 0.665230 O\n0.539713 0.621960 0.704942 O\n0.665230 0.082982 0.704943 O\n0.417018 0.834770 0.795057 O\n0.878039 0.960286 0.795057 O\n0.795057 0.417018 0.834770 O\n0.539714 0.417752 0.834771 O\n0.417752 0.082982 0.878039 O\n0.960286 0.795057 0.878039 O\n0.121961 0.582247 0.917018 O\n0.295057 0.334771 0.917018 O\n0.039713 0.334770 0.917752 O\n0.378039 0.582982 0.917752 O\n0.795057 0.878039 0.960286 O\n0.665229 0.082247 0.960286 O\n0.374999 0.750000 0.125000 Pr\n0.250000 0.375000 0.125000 Pr\n0.375000 0.125000 0.250000 Pr\n0.875000 0.625000 0.250000 Pr\n0.750000 0.125000 0.374999 Pr\n0.125000 0.250000 0.375000 Pr\n0.875000 0.750000 0.625000 Pr\n0.250000 0.875000 0.625000 Pr\n0.125000 0.374999 0.750000 Pr\n0.625000 0.875000 0.750000 Pr\n0.625000 0.250000 0.875000 Pr\n0.750000 0.625000 0.875000 Pr\n0.750000 0.875000 0.125000 Sn\n0.875000 0.250000 0.125000 Sn\n0.625000 0.375000 0.250000 Sn\n0.125000 0.875000 0.250000 Sn\n0.625000 0.750000 0.375000 Sn\n0.250000 0.625000 0.375000 Sn\n0.375000 0.250000 0.625000 Sn\n0.750000 0.375000 0.625000 Sn\n0.875000 0.125000 0.750000 Sn\n0.375000 0.625000 0.750000 Sn\n0.250000 0.125000 0.875000 Sn\n0.125000 0.750000 0.875000 Sn\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Mo",
                "O",
                "Pr",
                "Sn"
            ],
            "chemical_system": "Mo-O-Pr-Sn",
            "density": 6.588492132510122,
            "density_atomic": 0.06824795448426249,
            "volume": 1172.1963039705088,
            "volume_molar": 8.82391392607769,
            "formula_full": "Pr12 Sn12 Mo8 O48",
            "formula_reduced": "Pr3Sn3(MoO6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.25323629567993,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350618",
            "created_at": "2022-09-04T15:46:58.195980Z",
            "updated_at": "2022-09-04T15:46:58.196007Z",
            "structure_string": "Dy12 Nb12 Mo8 N48\n1.0\n-6.395899 6.395899 6.395899\n6.395899 -6.395899 6.395899\n6.395899 6.395899 -6.395899\nDy Mo N Nb\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Dy\n0.375000 0.750000 0.125000 Dy\n0.375000 0.125000 0.250000 Dy\n0.875000 0.625000 0.250000 Dy\n0.125000 0.250000 0.375000 Dy\n0.750000 0.125000 0.375000 Dy\n0.875000 0.750000 0.625000 Dy\n0.250000 0.875000 0.625000 Dy\n0.125000 0.375000 0.750000 Dy\n0.625000 0.875000 0.750000 Dy\n0.625000 0.250000 0.875000 Dy\n0.750000 0.625000 0.875000 Dy\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\n0.201379 0.117524 0.025807 N\n0.324428 0.908284 0.025807 N\n0.882476 0.408283 0.083855 N\n0.701379 0.675572 0.083855 N\n0.617524 0.416145 0.091717 N\n0.974193 0.675572 0.091717 N\n0.591717 0.916145 0.117524 N\n0.025807 0.201379 0.117524 N\n0.201379 0.583855 0.175572 N\n0.474193 0.591717 0.175572 N\n0.117524 0.025807 0.201379 N\n0.583855 0.175572 0.201379 N\n0.324428 0.916145 0.298621 N\n0.474193 0.382476 0.298621 N\n0.908284 0.025807 0.324428 N\n0.916145 0.298621 0.324428 N\n0.583855 0.908284 0.382476 N\n0.298621 0.474193 0.382476 N\n0.824428 0.525807 0.408283 N\n0.083855 0.882476 0.408283 N\n0.091717 0.617524 0.416145 N\n0.824428 0.798621 0.416145 N\n0.591717 0.175572 0.474193 N\n0.382476 0.298621 0.474193 N\n0.408283 0.824428 0.525807 N\n0.617524 0.701379 0.525807 N\n0.175572 0.201379 0.583855 N\n0.908284 0.382476 0.583855 N\n0.916145 0.117524 0.591717 N\n0.175572 0.474193 0.591717 N\n0.416145 0.091717 0.617524 N\n0.701379 0.525807 0.617524 N\n0.083855 0.701379 0.675572 N\n0.091717 0.974193 0.675572 N\n0.675572 0.083855 0.701379 N\n0.525807 0.617524 0.701379 N\n0.882476 0.974193 0.798621 N\n0.416145 0.824428 0.798621 N\n0.525807 0.408283 0.824428 N\n0.798621 0.416145 0.824428 N\n0.974193 0.798621 0.882476 N\n0.408283 0.083855 0.882476 N\n0.025807 0.324428 0.908284 N\n0.382476 0.583855 0.908284 N\n0.298621 0.324428 0.916145 N\n0.117524 0.591717 0.916145 N\n0.798621 0.882476 0.974193 N\n0.675572 0.091717 0.974193 N\n0.875000 0.250000 0.125000 Nb\n0.750000 0.875000 0.125000 Nb\n0.625000 0.375000 0.250000 Nb\n0.125000 0.875000 0.250000 Nb\n0.250000 0.625000 0.375000 Nb\n0.625000 0.750000 0.375000 Nb\n0.375000 0.250000 0.625000 Nb\n0.750000 0.375000 0.625000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625000 0.750000 Nb\n0.125000 0.750000 0.875000 Nb\n0.250000 0.125000 0.875000 Nb\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Dy",
                "Mo",
                "N",
                "Nb"
            ],
            "chemical_system": "Dy-Mo-N-Nb",
            "density": 7.147463387296979,
            "density_atomic": 0.07644079666040382,
            "volume": 1046.561567841951,
            "volume_molar": 7.878176344438149,
            "formula_full": "Dy12 Nb12 Mo8 N48",
            "formula_reduced": "Dy3Nb3(MoN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.921702375331104,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350608",
            "created_at": "2022-09-04T15:46:58.961949Z",
            "updated_at": "2022-09-04T15:46:58.961969Z",
            "structure_string": "Dy12 Nb12 Re8 N48\n1.0\n-6.385489 6.385489 6.385489\n6.385489 -6.385489 6.385489\n6.385489 6.385489 -6.385489\nDy N Nb Re\n12 48 12 8\ndirect\n0.250000 0.374999 0.125000 Dy\n0.375000 0.750000 0.125000 Dy\n0.374999 0.125000 0.250000 Dy\n0.874999 0.625000 0.250000 Dy\n0.125000 0.250000 0.374999 Dy\n0.750000 0.125000 0.375000 Dy\n0.875000 0.750000 0.625000 Dy\n0.250000 0.874999 0.625000 Dy\n0.125000 0.375000 0.750000 Dy\n0.625000 0.875000 0.750000 Dy\n0.625000 0.250000 0.874999 Dy\n0.750000 0.625000 0.875000 Dy\n0.325674 0.908467 0.024670 N\n0.198996 0.116203 0.024671 N\n0.698997 0.674326 0.082793 N\n0.883797 0.408468 0.082794 N\n0.975329 0.674325 0.091532 N\n0.616203 0.417207 0.091533 N\n0.591532 0.917206 0.116203 N\n0.024671 0.198996 0.116203 N\n0.198996 0.582793 0.174326 N\n0.475329 0.591533 0.174326 N\n0.582793 0.174326 0.198996 N\n0.116203 0.024671 0.198996 N\n0.475329 0.383798 0.301004 N\n0.325674 0.917207 0.301004 N\n0.908467 0.024670 0.325674 N\n0.917207 0.301004 0.325674 N\n0.582793 0.908468 0.383797 N\n0.301004 0.475329 0.383798 N\n0.825674 0.524671 0.408468 N\n0.082794 0.883797 0.408468 N\n0.825674 0.801003 0.417206 N\n0.091533 0.616203 0.417207 N\n0.591533 0.174326 0.475329 N\n0.383798 0.301004 0.475329 N\n0.616203 0.698996 0.524670 N\n0.408468 0.825674 0.524671 N\n0.174326 0.198996 0.582793 N\n0.908468 0.383797 0.582793 N\n0.917206 0.116203 0.591532 N\n0.174326 0.475329 0.591533 N\n0.698996 0.524670 0.616203 N\n0.417207 0.091533 0.616203 N\n0.091532 0.975329 0.674325 N\n0.082793 0.698997 0.674326 N\n0.524670 0.616203 0.698996 N\n0.674326 0.082793 0.698997 N\n0.417206 0.825674 0.801003 N\n0.883797 0.975329 0.801004 N\n0.801003 0.417206 0.825674 N\n0.524671 0.408468 0.825674 N\n0.408468 0.082794 0.883797 N\n0.975329 0.801004 0.883797 N\n0.024670 0.325674 0.908467 N\n0.383797 0.582793 0.908468 N\n0.116203 0.591532 0.917206 N\n0.301004 0.325674 0.917207 N\n0.674325 0.091532 0.975329 N\n0.801004 0.883797 0.975329 N\n0.750000 0.874999 0.125000 Nb\n0.875000 0.250000 0.125001 Nb\n0.625000 0.375000 0.250000 Nb\n0.125001 0.875000 0.250000 Nb\n0.625000 0.750000 0.374999 Nb\n0.250000 0.625000 0.375000 Nb\n0.375000 0.250000 0.625000 Nb\n0.750000 0.374999 0.625000 Nb\n0.874999 0.125000 0.750000 Nb\n0.374999 0.625000 0.750000 Nb\n0.125000 0.750000 0.874999 Nb\n0.250000 0.125001 0.875000 Nb\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": [
                "Dy",
                "N",
                "Nb",
                "Re"
            ],
            "chemical_system": "Dy-N-Nb-Re",
            "density": 8.333875445884894,
            "density_atomic": 0.07681526132922817,
            "volume": 1041.4597127662187,
            "volume_molar": 7.839771232684173,
            "formula_full": "Dy12 Nb12 Re8 N48",
            "formula_reduced": "Dy3Nb3(ReN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.826189707456103,
            "spacegroup": 230
        },
        {
            "id": "oqmd-675354",
            "created_at": "2022-09-04T15:16:17.257145Z",
            "updated_at": "2022-09-04T15:16:17.257170Z",
            "structure_string": "Li12 Mo20 O48\n1.0\n5.810370 5.810370 5.810370\n-5.810370 5.810370 -5.810370\n-5.810370 -5.810370 5.810370\nLi Mo O\n12 20 48\ndirect\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\n0.625001 0.250000 0.375000 Li\n0.375000 0.750000 0.625000 Li\n0.750000 0.875000 0.625001 Li\n0.375000 0.125001 0.750000 Li\n0.875000 0.625001 0.750000 Li\n0.125000 0.250000 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.000000 0.000000 0.000000 Mo\n0.500001 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500001 0.000000 Mo\n0.375000 0.250000 0.125000 Mo\n0.250000 0.875000 0.125000 Mo\n0.875000 0.125000 0.250000 Mo\n0.375000 0.625001 0.250000 Mo\n0.125001 0.750000 0.375000 Mo\n0.750000 0.625000 0.375000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500001 Mo\n0.500001 0.500001 0.500001 Mo\n0.875000 0.250000 0.625000 Mo\n0.250000 0.375000 0.625001 Mo\n0.625000 0.375000 0.750000 Mo\n0.125000 0.875000 0.750000 Mo\n0.750000 0.125000 0.875000 Mo\n0.625001 0.750000 0.875000 Mo\n0.320583 0.413360 0.046193 O\n0.225610 0.632833 0.046194 O\n0.953807 0.179417 0.086640 O\n0.632834 0.907223 0.086640 O\n0.725610 0.179416 0.092777 O\n0.867167 0.913360 0.092777 O\n0.586640 0.407223 0.132833 O\n0.046194 0.725610 0.132833 O\n0.453806 0.086640 0.179417 O\n0.225610 0.092777 0.179417 O\n0.592777 0.679417 0.225610 O\n0.132834 0.546194 0.225611 O\n0.320583 0.407223 0.274389 O\n0.453807 0.867167 0.274390 O\n0.913360 0.546193 0.320583 O\n0.907223 0.774389 0.320583 O\n0.592777 0.413360 0.367166 O\n0.274390 0.953807 0.367167 O\n0.086640 0.132834 0.407223 O\n0.820583 0.274390 0.407223 O\n0.092777 0.367167 0.413360 O\n0.820584 0.046194 0.413361 O\n0.586639 0.679416 0.453806 O\n0.367167 0.774390 0.453807 O\n0.632833 0.225610 0.546193 O\n0.413360 0.320583 0.546194 O\n0.907223 0.632833 0.586640 O\n0.179417 0.953806 0.586640 O\n0.179417 0.725610 0.592777 O\n0.913361 0.867167 0.592777 O\n0.725610 0.046193 0.632832 O\n0.407223 0.586639 0.632833 O\n0.092777 0.225610 0.679416 O\n0.086640 0.453807 0.679417 O\n0.546193 0.132833 0.725610 O\n0.679416 0.592777 0.725610 O\n0.407223 0.320583 0.774390 O\n0.867167 0.453806 0.774390 O\n0.774390 0.907223 0.820583 O\n0.546194 0.913361 0.820584 O\n0.953805 0.274389 0.867165 O\n0.413360 0.592777 0.867167 O\n0.132833 0.086640 0.907223 O\n0.274389 0.820583 0.907223 O\n0.046193 0.820583 0.913360 O\n0.367167 0.092777 0.913361 O\n0.774389 0.367166 0.953806 O\n0.679417 0.586640 0.953807 O\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "Li",
                "Mo",
                "O"
            ],
            "chemical_system": "Li-Mo-O",
            "density": 5.862291603898909,
            "density_atomic": 0.10195737115902784,
            "volume": 784.6416506288705,
            "volume_molar": 5.906528082807251,
            "formula_full": "Li12 Mo20 O48",
            "formula_reduced": "Li3Mo5O12",
            "formula_anonymous": "A3B5C12",
            "formation_energy": -1.87099839477725,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1277468",
            "created_at": "2022-09-04T15:42:01.938299Z",
            "updated_at": "2022-09-04T15:42:01.938330Z",
            "structure_string": "Ti8 Cd12 Ge12 O48\n1.0\n-6.106536 6.106536 6.106536\n6.106536 -6.106536 6.106536\n6.106536 6.106536 -6.106536\nCd Ge O Ti\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\n0.208640 0.121270 0.018630 O\n0.309990 0.897360 0.018630 O\n0.878730 0.397360 0.087370 O\n0.708640 0.690010 0.087370 O\n0.621270 0.412630 0.102640 O\n0.981370 0.690010 0.102640 O\n0.018630 0.208640 0.121270 O\n0.602640 0.912630 0.121270 O\n0.208640 0.587370 0.190010 O\n0.481370 0.602640 0.190010 O\n0.121270 0.018630 0.208640 O\n0.587370 0.190010 0.208640 O\n0.481370 0.378730 0.291360 O\n0.309990 0.912630 0.291360 O\n0.897360 0.018630 0.309990 O\n0.912630 0.291360 0.309990 O\n0.291360 0.481370 0.378730 O\n0.587370 0.897360 0.378730 O\n0.809990 0.518630 0.397360 O\n0.087370 0.878730 0.397360 O\n0.102640 0.621270 0.412630 O\n0.809990 0.791360 0.412630 O\n0.602640 0.190010 0.481370 O\n0.378730 0.291360 0.481370 O\n0.621270 0.708640 0.518630 O\n0.397360 0.809990 0.518630 O\n0.190010 0.208640 0.587370 O\n0.897360 0.378730 0.587370 O\n0.912630 0.121270 0.602640 O\n0.190010 0.481370 0.602640 O\n0.412630 0.102640 0.621270 O\n0.708640 0.518630 0.621270 O\n0.087370 0.708640 0.690010 O\n0.102640 0.981370 0.690010 O\n0.690010 0.087370 0.708640 O\n0.518630 0.621270 0.708640 O\n0.412630 0.809990 0.791360 O\n0.878730 0.981370 0.791360 O\n0.518630 0.397360 0.809990 O\n0.791360 0.412630 0.809990 O\n0.397360 0.087370 0.878730 O\n0.981370 0.791360 0.878730 O\n0.018630 0.309990 0.897360 O\n0.378730 0.587370 0.897360 O\n0.291360 0.309990 0.912630 O\n0.121270 0.602640 0.912630 O\n0.690010 0.102640 0.981370 O\n0.791360 0.878730 0.981370 O\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Cd",
                "Ge",
                "O",
                "Ti"
            ],
            "chemical_system": "Cd-Ge-O-Ti",
            "density": 6.146529610027512,
            "density_atomic": 0.08783047478391409,
            "volume": 910.8455828893206,
            "volume_molar": 6.856550388479671,
            "formula_full": "Ti8 Cd12 Ge12 O48",
            "formula_reduced": "Ti2Cd3(GeO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.04561192665588,
            "spacegroup": 230
        },
        {
            "id": "oqmd-675352",
            "created_at": "2022-09-04T15:16:13.775228Z",
            "updated_at": "2022-09-04T15:16:13.775256Z",
            "structure_string": "Li12 La12 W8 O48\n1.0\n6.286353 6.286353 6.286353\n-6.286353 6.286353 -6.286353\n-6.286353 -6.286353 6.286353\nLa Li O W\n12 12 48 8\ndirect\n0.249999 0.874999 0.124999 La\n0.375000 0.250000 0.125000 La\n0.874999 0.124999 0.249999 La\n0.375000 0.625000 0.250000 La\n0.125000 0.750000 0.375000 La\n0.750000 0.625000 0.375000 La\n0.875000 0.250000 0.625000 La\n0.250000 0.375000 0.625000 La\n0.625000 0.375000 0.750000 La\n0.125000 0.875000 0.750000 La\n0.625000 0.750000 0.874999 La\n0.750000 0.125000 0.875000 La\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\n0.625000 0.250000 0.375000 Li\n0.250000 0.125000 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\n0.124999 0.249999 0.874999 Li\n0.250000 0.625000 0.875000 Li\n0.327791 0.408679 0.021757 O\n0.193966 0.613077 0.021757 O\n0.886922 0.908679 0.080888 O\n0.693966 0.172210 0.080889 O\n0.613078 0.919112 0.091321 O\n0.978244 0.172210 0.091321 O\n0.021757 0.693966 0.113077 O\n0.591321 0.419112 0.113078 O\n0.193966 0.080888 0.172210 O\n0.478243 0.091321 0.172210 O\n0.113077 0.521756 0.193966 O\n0.580888 0.672210 0.193966 O\n0.327790 0.419111 0.306034 O\n0.478244 0.886923 0.306034 O\n0.919112 0.806034 0.327790 O\n0.908679 0.521756 0.327791 O\n0.580888 0.408679 0.386922 O\n0.306034 0.978244 0.386922 O\n0.827790 0.021757 0.408679 O\n0.080888 0.386922 0.408679 O\n0.091321 0.113077 0.419111 O\n0.827791 0.306034 0.419112 O\n0.591321 0.672209 0.478243 O\n0.386922 0.806034 0.478243 O\n0.613078 0.193966 0.521756 O\n0.408679 0.327790 0.521756 O\n0.172210 0.693966 0.580888 O\n0.908679 0.886922 0.580888 O\n0.919112 0.613078 0.591321 O\n0.172210 0.978244 0.591321 O\n0.419111 0.591321 0.613077 O\n0.693966 0.021757 0.613078 O\n0.080889 0.193966 0.672209 O\n0.091322 0.478244 0.672210 O\n0.521756 0.113078 0.693966 O\n0.672209 0.580888 0.693966 O\n0.886922 0.478243 0.806033 O\n0.419112 0.327791 0.806034 O\n0.521756 0.908679 0.827790 O\n0.806034 0.919112 0.827791 O\n0.978243 0.306034 0.886922 O\n0.408679 0.580888 0.886923 O\n0.386922 0.080889 0.908679 O\n0.021757 0.827791 0.908679 O\n0.113077 0.091321 0.919112 O\n0.306034 0.827791 0.919112 O\n0.806034 0.386922 0.978244 O\n0.672210 0.591321 0.978244 O\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": [
                "La",
                "Li",
                "O",
                "W"
            ],
            "chemical_system": "La-Li-O-W",
            "density": 6.665617546087137,
            "density_atomic": 0.08050701089737862,
            "volume": 993.702276463538,
            "volume_molar": 7.480268727994828,
            "formula_full": "Li12 La12 W8 O48",
            "formula_reduced": "Li3La3(WO6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -3.02141102290225,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350625",
            "created_at": "2022-09-04T15:46:58.241208Z",
            "updated_at": "2022-09-04T15:46:58.241241Z",
            "structure_string": "Er12 Nb12 Re8 N48\n1.0\n-6.360157 6.360157 6.360157\n6.360157 -6.360157 6.360157\n6.360157 6.360157 -6.360157\nEr N Nb Re\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\n0.875000 0.750000 0.625000 Er\n0.250000 0.875000 0.625000 Er\n0.125000 0.375000 0.750000 Er\n0.625000 0.875000 0.750000 Er\n0.625000 0.250000 0.875000 Er\n0.750000 0.625000 0.875000 Er\n0.325859 0.909053 0.026173 N\n0.200314 0.117121 0.026173 N\n0.882880 0.409053 0.083194 N\n0.700314 0.674141 0.083194 N\n0.973827 0.674141 0.090947 N\n0.617120 0.416806 0.090947 N\n0.590948 0.916807 0.117121 N\n0.026173 0.200314 0.117121 N\n0.200314 0.583194 0.174141 N\n0.473827 0.590948 0.174141 N\n0.583194 0.174141 0.200314 N\n0.117121 0.026173 0.200314 N\n0.473827 0.382880 0.299686 N\n0.325858 0.916806 0.299686 N\n0.916806 0.299686 0.325858 N\n0.909053 0.026173 0.325859 N\n0.299686 0.473827 0.382880 N\n0.583194 0.909053 0.382880 N\n0.083194 0.882880 0.409053 N\n0.825859 0.526173 0.409053 N\n0.090947 0.617120 0.416806 N\n0.825859 0.799686 0.416807 N\n0.590948 0.174141 0.473827 N\n0.382880 0.299686 0.473827 N\n0.409053 0.825859 0.526173 N\n0.617121 0.700314 0.526173 N\n0.174141 0.200314 0.583194 N\n0.909053 0.382880 0.583194 N\n0.916807 0.117121 0.590948 N\n0.174141 0.473827 0.590948 N\n0.416806 0.090947 0.617120 N\n0.700314 0.526173 0.617121 N\n0.083194 0.700314 0.674141 N\n0.090947 0.973827 0.674141 N\n0.674141 0.083194 0.700314 N\n0.526173 0.617121 0.700314 N\n0.416807 0.825859 0.799686 N\n0.882880 0.973827 0.799686 N\n0.526173 0.409053 0.825859 N\n0.799686 0.416807 0.825859 N\n0.409053 0.083194 0.882880 N\n0.973827 0.799686 0.882880 N\n0.026173 0.325859 0.909053 N\n0.382880 0.583194 0.909053 N\n0.299686 0.325858 0.916806 N\n0.117121 0.590948 0.916807 N\n0.799686 0.882880 0.973827 N\n0.674141 0.090947 0.973827 N\n0.875000 0.250000 0.125000 Nb\n0.750000 0.875000 0.125000 Nb\n0.625000 0.375000 0.250000 Nb\n0.125000 0.875000 0.250000 Nb\n0.250000 0.625000 0.375000 Nb\n0.625000 0.750000 0.375000 Nb\n0.375000 0.250000 0.625000 Nb\n0.750000 0.375000 0.625000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625000 0.750000 Nb\n0.250000 0.125000 0.875000 Nb\n0.125000 0.750000 0.875000 Nb\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": [
                "Er",
                "N",
                "Nb",
                "Re"
            ],
            "chemical_system": "Er-N-Nb-Re",
            "density": 8.525999366809884,
            "density_atomic": 0.07773676914346966,
            "volume": 1029.1140329276272,
            "volume_molar": 7.746836955476809,
            "formula_full": "Er12 Nb12 Re8 N48",
            "formula_reduced": "Er3Nb3(ReN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.822082695831102,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350515",
            "created_at": "2022-09-04T15:46:58.511651Z",
            "updated_at": "2022-09-04T15:46:58.511678Z",
            "structure_string": "Tb12 Re8 W12 N48\n1.0\n-6.366516 6.366516 6.366516\n6.366516 -6.366516 6.366516\n6.366516 6.366516 -6.366516\nN Re Tb W\n48 8 12 12\ndirect\n0.199151 0.115683 0.019370 N\n0.320219 0.903687 0.019370 N\n0.699151 0.679781 0.083468 N\n0.884317 0.403687 0.083468 N\n0.980630 0.679781 0.096313 N\n0.615683 0.416532 0.096313 N\n0.019370 0.199151 0.115683 N\n0.596314 0.916533 0.115683 N\n0.480630 0.596314 0.179781 N\n0.199151 0.583468 0.179781 N\n0.115683 0.019370 0.199151 N\n0.583468 0.179781 0.199151 N\n0.320218 0.916532 0.300849 N\n0.480630 0.384317 0.300849 N\n0.916532 0.300849 0.320218 N\n0.903687 0.019370 0.320219 N\n0.300849 0.480630 0.384317 N\n0.583467 0.903687 0.384317 N\n0.820219 0.519370 0.403687 N\n0.083468 0.884317 0.403687 N\n0.096313 0.615683 0.416532 N\n0.820219 0.800849 0.416532 N\n0.596314 0.179781 0.480630 N\n0.384317 0.300849 0.480630 N\n0.403687 0.820219 0.519370 N\n0.615684 0.699152 0.519370 N\n0.903687 0.384317 0.583467 N\n0.179781 0.199151 0.583468 N\n0.916533 0.115683 0.596314 N\n0.179781 0.480630 0.596314 N\n0.416532 0.096313 0.615683 N\n0.699152 0.519370 0.615684 N\n0.083468 0.699151 0.679781 N\n0.096313 0.980630 0.679781 N\n0.679781 0.083468 0.699151 N\n0.519370 0.615684 0.699152 N\n0.416532 0.820219 0.800849 N\n0.884317 0.980630 0.800849 N\n0.519370 0.403687 0.820219 N\n0.800849 0.416532 0.820219 N\n0.403687 0.083468 0.884317 N\n0.980630 0.800849 0.884317 N\n0.384317 0.583467 0.903687 N\n0.019370 0.320219 0.903687 N\n0.300849 0.320218 0.916532 N\n0.115683 0.596314 0.916533 N\n0.679781 0.096313 0.980630 N\n0.800849 0.884317 0.980630 N\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 Tb\n0.375000 0.750000 0.125000 Tb\n0.375000 0.125000 0.250000 Tb\n0.875000 0.625000 0.250000 Tb\n0.750000 0.125000 0.375000 Tb\n0.125000 0.250000 0.375000 Tb\n0.250000 0.875000 0.625000 Tb\n0.875000 0.750000 0.625000 Tb\n0.125000 0.375000 0.750000 Tb\n0.625000 0.875000 0.750000 Tb\n0.625000 0.250000 0.875000 Tb\n0.750000 0.625000 0.875000 Tb\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\n0.125000 0.750000 0.875000 W\n0.250000 0.125000 0.875000 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "N",
                "Re",
                "Tb",
                "W"
            ],
            "chemical_system": "N-Re-Tb-W",
            "density": 10.09505128941624,
            "density_atomic": 0.07750406673535415,
            "volume": 1032.2039006439297,
            "volume_molar": 7.7700964783735,
            "formula_full": "Tb12 Re8 W12 N48",
            "formula_reduced": "Tb3Re2(WN4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.673907175531103,
            "spacegroup": 230
        }
    ]
}