GET /third-parties/OqmdStructure/?format=api&ordering=-nsites&page=60
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=61",
    "previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-nsites&page=59",
    "results": [
        {
            "id": "oqmd-675429",
            "created_at": "2022-09-04T15:16:22.260914Z",
            "updated_at": "2022-09-04T15:16:22.260940Z",
            "structure_string": "Li12 Hf8 W12 O48\n1.0\n5.845612 5.845612 5.845612\n-5.845612 5.845612 -5.845612\n-5.845612 -5.845612 5.845612\nHf Li O W\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500001 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.500001 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.500001 Hf\n0.500001 0.500001 0.500001 Hf\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 0.249999 0.875000 Li\n0.250000 0.625000 0.875000 Li\n0.316856 0.411988 0.046314 O\n0.229459 0.634327 0.046315 O\n0.634327 0.904868 0.088012 O\n0.953685 0.183144 0.088012 O\n0.729459 0.183144 0.095132 O\n0.865673 0.911987 0.095132 O\n0.588012 0.404868 0.134326 O\n0.046315 0.729459 0.134327 O\n0.453685 0.088012 0.183144 O\n0.229458 0.095132 0.183144 O\n0.595132 0.683144 0.229458 O\n0.134327 0.546315 0.229459 O\n0.316856 0.404868 0.270541 O\n0.453686 0.865673 0.270541 O\n0.911987 0.546314 0.316856 O\n0.904868 0.770540 0.316856 O\n0.595132 0.411988 0.365673 O\n0.270541 0.953685 0.365673 O\n0.088012 0.134327 0.404868 O\n0.816855 0.270541 0.404868 O\n0.095132 0.365673 0.411988 O\n0.816856 0.046315 0.411989 O\n0.588012 0.683144 0.453685 O\n0.365673 0.770541 0.453686 O\n0.634326 0.229458 0.546314 O\n0.411988 0.316856 0.546315 O\n0.904868 0.634326 0.588012 O\n0.183144 0.953685 0.588012 O\n0.183144 0.729458 0.595132 O\n0.911988 0.865673 0.595132 O\n0.729458 0.046314 0.634326 O\n0.404868 0.588012 0.634327 O\n0.095132 0.229459 0.683144 O\n0.088012 0.453686 0.683144 O\n0.546314 0.134326 0.729458 O\n0.683144 0.595132 0.729459 O\n0.404868 0.316856 0.770541 O\n0.865673 0.453685 0.770541 O\n0.770541 0.904868 0.816855 O\n0.546315 0.911988 0.816856 O\n0.953685 0.270541 0.865673 O\n0.411988 0.595132 0.865673 O\n0.134326 0.088012 0.904868 O\n0.270541 0.816855 0.904868 O\n0.046314 0.816855 0.911987 O\n0.365673 0.095132 0.911988 O\n0.770540 0.365673 0.953685 O\n0.683144 0.588012 0.953685 O\n0.375000 0.250000 0.125000 W\n0.249999 0.875000 0.125000 W\n0.875000 0.125000 0.249999 W\n0.375000 0.625000 0.250000 W\n0.750000 0.625000 0.375000 W\n0.125001 0.750000 0.375000 W\n0.875000 0.250000 0.625000 W\n0.250000 0.375000 0.625000 W\n0.625000 0.375000 0.750000 W\n0.125000 0.875000 0.750000 W\n0.750000 0.125000 0.875000 W\n0.625000 0.750000 0.875000 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Hf",
                "Li",
                "O",
                "W"
            ],
            "chemical_system": "Hf-Li-O-W",
            "density": 9.321527422150606,
            "density_atomic": 0.10012442570378506,
            "volume": 799.005831371033,
            "volume_molar": 6.0146569807214805,
            "formula_full": "Li12 Hf8 W12 O48",
            "formula_reduced": "Li3Hf2(WO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.35686991677725,
            "spacegroup": 230
        },
        {
            "id": "oqmd-94817",
            "created_at": "2022-09-04T15:52:20.244486Z",
            "updated_at": "2022-09-04T15:52:20.244514Z",
            "structure_string": "K8 H24 C16 O32\n1.0\n6.908229 0.000000 0.000000\n0.000000 6.948952 0.000000\n0.000000 0.000000 17.908251\nC H K O\n16 24 8 32\ndirect\n0.176850 0.467071 0.123180 C\n0.323150 0.967071 0.123180 C\n0.874352 0.147047 0.169084 C\n0.625648 0.647047 0.169084 C\n0.374352 0.147047 0.330916 C\n0.125648 0.647047 0.330916 C\n0.676850 0.467071 0.376820 C\n0.823150 0.967071 0.376820 C\n0.176850 0.032929 0.623180 C\n0.323150 0.532929 0.623180 C\n0.874352 0.352953 0.669084 C\n0.625648 0.852953 0.669084 C\n0.374352 0.352953 0.830916 C\n0.125648 0.852953 0.830916 C\n0.676850 0.032929 0.876820 C\n0.823150 0.532929 0.876820 C\n0.246063 0.350411 0.155523 H\n0.253937 0.850411 0.155523 H\n0.802912 0.264342 0.200788 H\n0.697088 0.764342 0.200788 H\n0.441241 0.044600 0.227891 H\n0.058759 0.544600 0.227891 H\n0.941241 0.044600 0.272109 H\n0.558759 0.544600 0.272109 H\n0.302912 0.264342 0.299212 H\n0.197088 0.764342 0.299212 H\n0.746063 0.350411 0.344477 H\n0.753937 0.850411 0.344477 H\n0.246063 0.149589 0.655523 H\n0.253937 0.649589 0.655523 H\n0.802912 0.235658 0.700788 H\n0.697088 0.735658 0.700788 H\n0.441241 0.455400 0.727891 H\n0.058759 0.955400 0.727891 H\n0.941241 0.455400 0.772109 H\n0.558759 0.955400 0.772109 H\n0.302912 0.235658 0.799212 H\n0.197088 0.735658 0.799212 H\n0.746063 0.149589 0.844477 H\n0.753937 0.649589 0.844477 H\n0.561006 0.287779 0.036290 K\n0.938994 0.787779 0.036290 K\n0.061006 0.287779 0.463710 K\n0.438994 0.787779 0.463710 K\n0.561006 0.212221 0.536290 K\n0.938994 0.712221 0.536290 K\n0.061006 0.212221 0.963710 K\n0.438994 0.712221 0.963710 K\n0.211292 0.483609 0.054808 O\n0.288708 0.983609 0.054808 O\n0.878187 0.150031 0.099771 O\n0.621813 0.650031 0.099771 O\n0.435330 0.082293 0.159333 O\n0.064670 0.582293 0.159333 O\n0.951646 0.010741 0.208792 O\n0.548354 0.510741 0.208792 O\n0.451646 0.010741 0.291208 O\n0.048354 0.510741 0.291208 O\n0.935330 0.082293 0.340667 O\n0.564670 0.582293 0.340667 O\n0.378187 0.150031 0.400229 O\n0.121813 0.650031 0.400229 O\n0.711292 0.483609 0.445192 O\n0.788708 0.983609 0.445192 O\n0.211292 0.016391 0.554808 O\n0.288708 0.516391 0.554808 O\n0.878187 0.349969 0.599771 O\n0.621813 0.849969 0.599771 O\n0.435330 0.417707 0.659333 O\n0.064670 0.917707 0.659333 O\n0.951646 0.489259 0.708792 O\n0.548354 0.989259 0.708792 O\n0.451646 0.489259 0.791208 O\n0.048354 0.989259 0.791208 O\n0.935330 0.417707 0.840667 O\n0.564670 0.917707 0.840667 O\n0.378187 0.349969 0.900229 O\n0.121813 0.849969 0.900229 O\n0.711292 0.016391 0.945192 O\n0.788708 0.516391 0.945192 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "C",
                "H",
                "K",
                "O"
            ],
            "chemical_system": "C-H-K-O",
            "density": 2.0110108527831385,
            "density_atomic": 0.093057370564606,
            "volume": 859.6847247522345,
            "volume_molar": 6.4714280270997655,
            "formula_full": "K8 H24 C16 O32",
            "formula_reduced": "KH3(CO2)2",
            "formula_anonymous": "AB2C3D4",
            "formation_energy": -1.2659936398817542,
            "spacegroup": 61
        },
        {
            "id": "oqmd-1038945",
            "created_at": "2022-09-04T15:31:09.227158Z",
            "updated_at": "2022-09-04T15:31:09.227185Z",
            "structure_string": "Np8 Ag12 Hg12 O48\n1.0\n6.663853 6.663853 6.663853\n-6.663853 6.663853 -6.663853\n-6.663853 -6.663853 6.663853\nAg Hg Np O\n12 12 8 48\ndirect\n0.375000 0.250000 0.125000 Ag\n0.249999 0.875000 0.125000 Ag\n0.875000 0.125000 0.249999 Ag\n0.375000 0.625000 0.250000 Ag\n0.125000 0.750000 0.375000 Ag\n0.750000 0.624999 0.375000 Ag\n0.875000 0.250000 0.625000 Ag\n0.250000 0.375000 0.625000 Ag\n0.624999 0.375000 0.750000 Ag\n0.125000 0.875000 0.750000 Ag\n0.750000 0.125000 0.875000 Ag\n0.625000 0.750000 0.875000 Ag\n0.875000 0.750000 0.125000 Hg\n0.750000 0.375000 0.125000 Hg\n0.125000 0.375000 0.250000 Hg\n0.625000 0.875000 0.250000 Hg\n0.250000 0.125000 0.375000 Hg\n0.625000 0.250000 0.375000 Hg\n0.375000 0.750000 0.624999 Hg\n0.750000 0.875000 0.625000 Hg\n0.375000 0.125000 0.750000 Hg\n0.875000 0.625000 0.750000 Hg\n0.125000 0.249999 0.875000 Hg\n0.250000 0.625000 0.875000 Hg\n0.000000 0.000000 0.000000 Np\n0.500000 0.000000 0.000000 Np\n0.500000 0.500000 0.000000 Np\n0.000000 0.500000 0.000000 Np\n0.500000 0.000000 0.500000 Np\n0.000000 0.500000 0.500000 Np\n0.000000 0.000000 0.500000 Np\n0.500000 0.500000 0.500000 Np\n0.335097 0.442857 0.037246 O\n0.202150 0.594389 0.037246 O\n0.594390 0.892240 0.057143 O\n0.962754 0.164903 0.057143 O\n0.557142 0.392239 0.094388 O\n0.037246 0.702149 0.094389 O\n0.702149 0.164903 0.107760 O\n0.905612 0.942858 0.107760 O\n0.462753 0.057143 0.164903 O\n0.202149 0.107760 0.164903 O\n0.607760 0.664903 0.202149 O\n0.094389 0.537246 0.202150 O\n0.335097 0.392239 0.297850 O\n0.462754 0.905611 0.297851 O\n0.942858 0.537247 0.335097 O\n0.892239 0.797850 0.335097 O\n0.057143 0.094389 0.392239 O\n0.835098 0.297851 0.392241 O\n0.607760 0.442857 0.405611 O\n0.297851 0.962754 0.405611 O\n0.107760 0.405611 0.442857 O\n0.835097 0.037246 0.442858 O\n0.557142 0.664903 0.462753 O\n0.405611 0.797851 0.462754 O\n0.442857 0.335097 0.537246 O\n0.594390 0.202149 0.537247 O\n0.892241 0.594390 0.557142 O\n0.164903 0.962753 0.557142 O\n0.702148 0.037246 0.594387 O\n0.392239 0.557142 0.594389 O\n0.942858 0.905611 0.607760 O\n0.164903 0.702150 0.607762 O\n0.107760 0.202150 0.664903 O\n0.057143 0.462754 0.664903 O\n0.664903 0.607760 0.702149 O\n0.537247 0.094388 0.702150 O\n0.392239 0.335097 0.797851 O\n0.905611 0.462753 0.797851 O\n0.537246 0.942858 0.835097 O\n0.797851 0.892241 0.835098 O\n0.297850 0.835097 0.892240 O\n0.094390 0.057143 0.892241 O\n0.962754 0.297850 0.905611 O\n0.442857 0.607760 0.905611 O\n0.405611 0.107760 0.942858 O\n0.037246 0.835097 0.942858 O\n0.797850 0.405611 0.962753 O\n0.664903 0.557142 0.962754 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Ag",
                "Hg",
                "Np",
                "O"
            ],
            "chemical_system": "Ag-Hg-Np-O",
            "density": 8.929832849042635,
            "density_atomic": 0.06758553731688943,
            "volume": 1183.6851962114715,
            "volume_molar": 8.910398583892125,
            "formula_full": "Np8 Ag12 Hg12 O48",
            "formula_reduced": "Np2Ag3(HgO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.09401404597144,
            "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-1038943",
            "created_at": "2022-09-04T15:31:08.683881Z",
            "updated_at": "2022-09-04T15:31:08.683911Z",
            "structure_string": "Pa8 Hg12 Au12 O48\n1.0\n6.942532 6.942532 6.942532\n-6.942532 6.942532 -6.942532\n-6.942532 -6.942532 6.942532\nAu Hg O Pa\n12 12 48 8\ndirect\n0.875000 0.750000 0.125000 Au\n0.750000 0.375000 0.125000 Au\n0.125000 0.375000 0.250000 Au\n0.625000 0.875000 0.250000 Au\n0.250000 0.125000 0.375000 Au\n0.625000 0.250000 0.375000 Au\n0.375000 0.750000 0.625000 Au\n0.750000 0.875000 0.625000 Au\n0.375000 0.125000 0.750000 Au\n0.875000 0.625000 0.750000 Au\n0.125000 0.250000 0.875000 Au\n0.250000 0.625000 0.875000 Au\n0.375000 0.250000 0.125000 Hg\n0.250000 0.875000 0.125000 Hg\n0.875000 0.125000 0.250000 Hg\n0.375000 0.625000 0.250000 Hg\n0.750000 0.625000 0.375000 Hg\n0.125000 0.750000 0.375000 Hg\n0.875000 0.250000 0.625000 Hg\n0.250000 0.375000 0.625000 Hg\n0.625000 0.375000 0.750000 Hg\n0.125000 0.875000 0.750000 Hg\n0.750000 0.125000 0.875000 Hg\n0.625000 0.750000 0.875000 Hg\n0.337080 0.361724 0.011418 O\n0.174339 0.649694 0.011419 O\n0.850306 0.861724 0.024644 O\n0.674339 0.162920 0.024644 O\n0.988582 0.162920 0.138275 O\n0.649694 0.975355 0.138275 O\n0.638276 0.475355 0.149695 O\n0.011419 0.674339 0.149695 O\n0.488580 0.138275 0.162920 O\n0.174338 0.024644 0.162920 O\n0.524644 0.662921 0.174338 O\n0.149695 0.511419 0.174339 O\n0.337080 0.475355 0.325661 O\n0.488583 0.850306 0.325662 O\n0.861725 0.511419 0.337080 O\n0.975355 0.825661 0.337080 O\n0.524644 0.361725 0.350305 O\n0.325661 0.988582 0.350306 O\n0.024644 0.350306 0.361724 O\n0.837081 0.011419 0.361725 O\n0.138275 0.149695 0.475355 O\n0.837080 0.325662 0.475356 O\n0.638275 0.662919 0.488580 O\n0.350306 0.825661 0.488581 O\n0.649694 0.174338 0.511418 O\n0.361725 0.337080 0.511419 O\n0.861725 0.850306 0.524644 O\n0.162920 0.674340 0.524645 O\n0.162920 0.988580 0.638275 O\n0.975355 0.649694 0.638276 O\n0.674338 0.011418 0.649694 O\n0.475355 0.638275 0.649694 O\n0.024644 0.174339 0.662919 O\n0.138277 0.488583 0.662921 O\n0.662919 0.524644 0.674339 O\n0.511419 0.149695 0.674340 O\n0.475355 0.337080 0.825661 O\n0.850306 0.488580 0.825661 O\n0.825661 0.975355 0.837080 O\n0.511419 0.861725 0.837081 O\n0.988580 0.325661 0.850305 O\n0.361724 0.524644 0.850306 O\n0.011418 0.837080 0.861724 O\n0.350306 0.024644 0.861725 O\n0.149694 0.138275 0.975355 O\n0.325661 0.837080 0.975355 O\n0.825661 0.350305 0.988580 O\n0.662921 0.638276 0.988582 O\n0.000000 0.000000 0.000000 Pa\n0.500001 0.000000 0.000000 Pa\n0.500000 0.500000 0.000000 Pa\n0.000000 0.500001 0.000000 Pa\n0.500000 0.000000 0.500000 Pa\n0.000000 0.500000 0.500000 Pa\n0.000000 0.000000 0.500001 Pa\n0.500001 0.500001 0.500001 Pa\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Au",
                "Hg",
                "O",
                "Pa"
            ],
            "chemical_system": "Au-Hg-O-Pa",
            "density": 9.164311330397428,
            "density_atomic": 0.059769046153935086,
            "volume": 1338.4854727974096,
            "volume_molar": 10.07568490300144,
            "formula_full": "Pa8 Hg12 Au12 O48",
            "formula_reduced": "Pa2Hg3(AuO4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -1.06950405327219,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350656",
            "created_at": "2022-09-04T15:46:59.626064Z",
            "updated_at": "2022-09-04T15:46:59.626092Z",
            "structure_string": "Sm12 Nb8 Re12 N48\n1.0\n-6.450872 6.450872 6.450872\n6.450872 -6.450872 6.450872\n6.450872 6.450872 -6.450872\nN Nb Re Sm\n48 8 12 12\ndirect\n0.313786 0.900832 0.017664 N\n0.203879 0.116832 0.017665 N\n0.883168 0.400833 0.087046 N\n0.703878 0.686213 0.087046 N\n0.616832 0.412953 0.099167 N\n0.982335 0.686213 0.099167 N\n0.599167 0.912953 0.116831 N\n0.017665 0.203879 0.116832 N\n0.203878 0.587046 0.186214 N\n0.482336 0.599168 0.186214 N\n0.587046 0.186214 0.203878 N\n0.116832 0.017665 0.203879 N\n0.482336 0.383168 0.296122 N\n0.313786 0.912954 0.296122 N\n0.912954 0.296122 0.313786 N\n0.900832 0.017664 0.313786 N\n0.296122 0.482336 0.383168 N\n0.587046 0.900833 0.383168 N\n0.087046 0.883168 0.400833 N\n0.813787 0.517665 0.400833 N\n0.099167 0.616832 0.412953 N\n0.813786 0.796122 0.412953 N\n0.599168 0.186214 0.482336 N\n0.383168 0.296122 0.482336 N\n0.616831 0.703878 0.517664 N\n0.400833 0.813787 0.517665 N\n0.186214 0.203878 0.587046 N\n0.900833 0.383168 0.587046 N\n0.912953 0.116831 0.599167 N\n0.186214 0.482336 0.599168 N\n0.703878 0.517664 0.616831 N\n0.412953 0.099167 0.616832 N\n0.087046 0.703878 0.686213 N\n0.099167 0.982335 0.686213 N\n0.517664 0.616831 0.703878 N\n0.686213 0.087046 0.703878 N\n0.412953 0.813786 0.796122 N\n0.883169 0.982336 0.796123 N\n0.796122 0.412953 0.813786 N\n0.517665 0.400833 0.813787 N\n0.400833 0.087046 0.883168 N\n0.982336 0.796123 0.883169 N\n0.017664 0.313786 0.900832 N\n0.383168 0.587046 0.900833 N\n0.116831 0.599167 0.912953 N\n0.296122 0.313786 0.912954 N\n0.686213 0.099167 0.982335 N\n0.796123 0.883169 0.982336 N\n0.000000 0.000000 0.000000 Nb\n0.500001 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500001 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.500001 Nb\n0.500001 0.500001 0.500001 Nb\n0.875000 0.250000 0.124999 Re\n0.750000 0.875000 0.125000 Re\n0.124999 0.875000 0.250000 Re\n0.625000 0.375000 0.250000 Re\n0.250000 0.625000 0.375000 Re\n0.625000 0.750000 0.375000 Re\n0.375000 0.250000 0.625000 Re\n0.750000 0.375000 0.625000 Re\n0.375000 0.625000 0.750000 Re\n0.875000 0.125000 0.750000 Re\n0.250000 0.124999 0.875000 Re\n0.125000 0.750000 0.875000 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\n0.250000 0.875000 0.625000 Sm\n0.875000 0.750000 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\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "N",
                "Nb",
                "Re",
                "Sm"
            ],
            "chemical_system": "N-Nb-Re-Sm",
            "density": 8.434880929333683,
            "density_atomic": 0.07450316488278459,
            "volume": 1073.779887416374,
            "volume_molar": 8.083067034097947,
            "formula_full": "Sm12 Nb8 Re12 N48",
            "formula_reduced": "Sm3Nb2(ReN4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.840860162706103,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350752",
            "created_at": "2022-09-04T15:46:54.929771Z",
            "updated_at": "2022-09-04T15:46:54.929801Z",
            "structure_string": "Dy12 As12 W8 N48\n1.0\n-6.215229 6.215229 6.215229\n6.215229 -6.215229 6.215229\n6.215229 6.215229 -6.215229\nAs Dy N W\n12 12 48 8\ndirect\n0.875000 0.250000 0.125000 As\n0.750000 0.875000 0.125000 As\n0.624999 0.375000 0.250000 As\n0.125000 0.875000 0.250000 As\n0.250000 0.624999 0.375000 As\n0.625000 0.750000 0.375000 As\n0.375000 0.250000 0.624999 As\n0.750000 0.375000 0.625000 As\n0.875000 0.125000 0.750000 As\n0.375000 0.625000 0.750000 As\n0.250000 0.125000 0.875000 As\n0.125000 0.750000 0.875000 As\n0.375000 0.750000 0.124999 Dy\n0.250000 0.375000 0.125000 Dy\n0.375000 0.125000 0.250000 Dy\n0.875000 0.625000 0.250000 Dy\n0.750000 0.124999 0.375000 Dy\n0.125000 0.250000 0.375000 Dy\n0.875000 0.750000 0.624999 Dy\n0.250000 0.875000 0.625000 Dy\n0.124999 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\n0.203516 0.115798 0.019817 N\n0.316301 0.904020 0.019818 N\n0.703516 0.683699 0.087718 N\n0.884202 0.404020 0.087718 N\n0.615798 0.412282 0.095980 N\n0.980182 0.683699 0.095980 N\n0.019817 0.203516 0.115798 N\n0.595980 0.912282 0.115799 N\n0.480182 0.595980 0.183699 N\n0.203517 0.587718 0.183699 N\n0.115798 0.019817 0.203516 N\n0.587718 0.183699 0.203517 N\n0.480182 0.384201 0.296483 N\n0.316301 0.912281 0.296483 N\n0.912281 0.296483 0.316301 N\n0.904020 0.019818 0.316301 N\n0.296483 0.480182 0.384201 N\n0.587718 0.904019 0.384201 N\n0.816301 0.519818 0.404019 N\n0.087718 0.884202 0.404020 N\n0.095980 0.615798 0.412282 N\n0.816301 0.796483 0.412282 N\n0.595980 0.183699 0.480182 N\n0.384201 0.296483 0.480182 N\n0.404019 0.816301 0.519818 N\n0.615799 0.703517 0.519818 N\n0.183699 0.203517 0.587718 N\n0.904019 0.384201 0.587718 N\n0.183699 0.480182 0.595980 N\n0.912282 0.115799 0.595980 N\n0.412282 0.095980 0.615798 N\n0.703517 0.519818 0.615799 N\n0.087718 0.703516 0.683699 N\n0.095980 0.980182 0.683699 N\n0.683699 0.087718 0.703516 N\n0.519818 0.615799 0.703517 N\n0.884201 0.980181 0.796482 N\n0.412282 0.816301 0.796483 N\n0.519818 0.404019 0.816301 N\n0.796483 0.412282 0.816301 N\n0.980181 0.796482 0.884201 N\n0.404020 0.087718 0.884202 N\n0.384201 0.587718 0.904019 N\n0.019818 0.316301 0.904020 N\n0.296483 0.316301 0.912281 N\n0.115799 0.595980 0.912282 N\n0.796482 0.884201 0.980181 N\n0.683699 0.095980 0.980182 N\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": [
                "As",
                "Dy",
                "N",
                "W"
            ],
            "chemical_system": "As-Dy-N-W",
            "density": 8.631793609406245,
            "density_atomic": 0.08330260662216867,
            "volume": 960.3541022773978,
            "volume_molar": 7.229234479197409,
            "formula_full": "Dy12 As12 W8 N48",
            "formula_reduced": "Dy3As3(WN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.609049609831104,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350675",
            "created_at": "2022-09-04T15:46:59.697840Z",
            "updated_at": "2022-09-04T15:46:59.697870Z",
            "structure_string": "Ce12 Re8 W12 N48\n1.0\n-6.506856 6.506856 6.506856\n6.506856 -6.506856 6.506856\n6.506856 6.506856 -6.506856\nCe N Re W\n12 48 8 12\ndirect\n0.250000 0.375000 0.125000 Ce\n0.375001 0.750000 0.125000 Ce\n0.375000 0.125000 0.250000 Ce\n0.875000 0.625000 0.250000 Ce\n0.125000 0.250000 0.375000 Ce\n0.750000 0.125000 0.375001 Ce\n0.875000 0.750000 0.625000 Ce\n0.250000 0.875000 0.625000 Ce\n0.125000 0.375001 0.750000 Ce\n0.625000 0.875000 0.750000 Ce\n0.750000 0.625000 0.875000 Ce\n0.625000 0.250000 0.875000 Ce\n0.319194 0.898945 0.009938 N\n0.190744 0.110994 0.009938 N\n0.889007 0.398945 0.079750 N\n0.690744 0.680806 0.079750 N\n0.610993 0.420249 0.101056 N\n0.990063 0.680807 0.101056 N\n0.009938 0.190744 0.110994 N\n0.601056 0.920250 0.110994 N\n0.190744 0.579751 0.180806 N\n0.490062 0.601056 0.180806 N\n0.579751 0.180806 0.190744 N\n0.110994 0.009938 0.190744 N\n0.490062 0.389007 0.309256 N\n0.319193 0.920249 0.309256 N\n0.920249 0.309256 0.319193 N\n0.898945 0.009938 0.319194 N\n0.579750 0.898944 0.389007 N\n0.309256 0.490062 0.389007 N\n0.079750 0.889007 0.398945 N\n0.819194 0.509938 0.398945 N\n0.101056 0.610993 0.420249 N\n0.819194 0.809256 0.420250 N\n0.601056 0.180806 0.490062 N\n0.389007 0.309256 0.490062 N\n0.398945 0.819194 0.509938 N\n0.610994 0.690745 0.509938 N\n0.898944 0.389007 0.579750 N\n0.180806 0.190744 0.579751 N\n0.180806 0.490062 0.601056 N\n0.920250 0.110994 0.601056 N\n0.420249 0.101056 0.610993 N\n0.690745 0.509938 0.610994 N\n0.079750 0.690744 0.680806 N\n0.101056 0.990063 0.680807 N\n0.680806 0.079750 0.690744 N\n0.509938 0.610994 0.690745 N\n0.420250 0.819194 0.809256 N\n0.889007 0.990063 0.809256 N\n0.509938 0.398945 0.819194 N\n0.809256 0.420250 0.819194 N\n0.398945 0.079750 0.889007 N\n0.990063 0.809256 0.889007 N\n0.389007 0.579750 0.898944 N\n0.009938 0.319194 0.898945 N\n0.309256 0.319193 0.920249 N\n0.110994 0.601056 0.920250 N\n0.680807 0.101056 0.990063 N\n0.809256 0.889007 0.990063 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\n0.875000 0.250000 0.125000 W\n0.750000 0.874999 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\n0.874999 0.125000 0.750000 W\n0.375000 0.625000 0.750000 W\n0.125000 0.750000 0.874999 W\n0.250000 0.125000 0.875000 W\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Ce",
                "N",
                "Re",
                "W"
            ],
            "chemical_system": "Ce-N-Re-W",
            "density": 9.115728502049732,
            "density_atomic": 0.07259662127048173,
            "volume": 1101.9796596584658,
            "volume_molar": 8.295345781400218,
            "formula_full": "Ce12 Re8 W12 N48",
            "formula_reduced": "Ce3Re2(WN4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.728243115831103,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350749",
            "created_at": "2022-09-04T15:46:55.977789Z",
            "updated_at": "2022-09-04T15:46:55.977807Z",
            "structure_string": "Yb12 Sb12 Mo8 N48\n1.0\n-6.426487 6.426487 6.426487\n6.426487 -6.426487 6.426487\n6.426487 6.426487 -6.426487\nMo N Sb Yb\n8 48 12 12\ndirect\n0.000000 0.000000 0.000000 Mo\n0.499999 0.000000 0.000000 Mo\n0.000000 0.499999 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.499999 Mo\n0.499999 0.499999 0.499999 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.326819 0.916310 0.028469 N\n0.201650 0.112159 0.028470 N\n0.971530 0.673180 0.083689 N\n0.612159 0.410509 0.083690 N\n0.701649 0.673180 0.089491 N\n0.887841 0.416311 0.089491 N\n0.583689 0.910509 0.112158 N\n0.028470 0.201650 0.112159 N\n0.201649 0.589491 0.173180 N\n0.471531 0.583690 0.173180 N\n0.589491 0.173180 0.201649 N\n0.112159 0.028470 0.201650 N\n0.471531 0.387842 0.298350 N\n0.326819 0.910509 0.298350 N\n0.916310 0.028469 0.326819 N\n0.910509 0.298350 0.326819 N\n0.589491 0.916311 0.387841 N\n0.298350 0.471531 0.387842 N\n0.826820 0.798350 0.410509 N\n0.083690 0.612159 0.410509 N\n0.826820 0.528469 0.416311 N\n0.089491 0.887841 0.416311 N\n0.387842 0.298350 0.471531 N\n0.583690 0.173180 0.471531 N\n0.612159 0.701649 0.528469 N\n0.416311 0.826820 0.528469 N\n0.910509 0.112158 0.583689 N\n0.173180 0.471531 0.583690 N\n0.173180 0.201649 0.589491 N\n0.916311 0.387841 0.589491 N\n0.410509 0.083690 0.612159 N\n0.701649 0.528469 0.612159 N\n0.083689 0.971530 0.673180 N\n0.089491 0.701649 0.673180 N\n0.528469 0.612159 0.701649 N\n0.673180 0.089491 0.701649 N\n0.410509 0.826820 0.798350 N\n0.887841 0.971531 0.798351 N\n0.798350 0.410509 0.826820 N\n0.528469 0.416311 0.826820 N\n0.416311 0.089491 0.887841 N\n0.971531 0.798351 0.887841 N\n0.298350 0.326819 0.910509 N\n0.112158 0.583689 0.910509 N\n0.028469 0.326819 0.916310 N\n0.387841 0.589491 0.916311 N\n0.673180 0.083689 0.971530 N\n0.798351 0.887841 0.971531 N\n0.750000 0.875000 0.125000 Sb\n0.875001 0.250001 0.125001 Sb\n0.625000 0.375000 0.250000 Sb\n0.125001 0.875001 0.250001 Sb\n0.625000 0.750000 0.375000 Sb\n0.250000 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.750000 0.375000 0.625000 Sb\n0.875000 0.125000 0.750000 Sb\n0.375000 0.625000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.250001 0.125001 0.875001 Sb\n0.250000 0.375000 0.125000 Yb\n0.375000 0.750000 0.125000 Yb\n0.375000 0.125000 0.250000 Yb\n0.875000 0.625000 0.250000 Yb\n0.125000 0.250000 0.375000 Yb\n0.750000 0.125000 0.375000 Yb\n0.875001 0.750000 0.625000 Yb\n0.250000 0.875000 0.625000 Yb\n0.125000 0.375000 0.750000 Yb\n0.625000 0.875001 0.750000 Yb\n0.625000 0.250000 0.875000 Yb\n0.750000 0.625000 0.875001 Yb\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Mo",
                "N",
                "Sb",
                "Yb"
            ],
            "chemical_system": "Mo-N-Sb-Yb",
            "density": 7.785282555147755,
            "density_atomic": 0.07535448318618043,
            "volume": 1061.6488444667818,
            "volume_molar": 7.991748473837886,
            "formula_full": "Yb12 Sb12 Mo8 N48",
            "formula_reduced": "Yb3Sb3(MoN6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.0579024773311033,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350788",
            "created_at": "2022-09-04T15:46:59.603352Z",
            "updated_at": "2022-09-04T15:46:59.603379Z",
            "structure_string": "Ce12 Sb12 Mo8 O48\n1.0\n-6.702641 6.702641 6.702641\n6.702641 -6.702641 6.702641\n6.702641 6.702641 -6.702641\nCe Mo O Sb\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Ce\n0.375000 0.750000 0.125000 Ce\n0.375000 0.125000 0.250000 Ce\n0.875000 0.625000 0.250000 Ce\n0.750000 0.125000 0.375000 Ce\n0.125000 0.250000 0.375000 Ce\n0.875000 0.750000 0.625000 Ce\n0.250000 0.875000 0.625000 Ce\n0.125000 0.375000 0.750000 Ce\n0.625000 0.875000 0.750000 Ce\n0.625000 0.250000 0.875000 Ce\n0.750000 0.625000 0.875000 Ce\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\n0.207206 0.126026 0.040051 O\n0.332844 0.914025 0.040051 O\n0.873974 0.414025 0.081181 O\n0.707206 0.667156 0.081181 O\n0.959949 0.667156 0.085975 O\n0.626026 0.418819 0.085975 O\n0.585975 0.918819 0.126026 O\n0.040051 0.207206 0.126026 O\n0.207206 0.581181 0.167156 O\n0.459949 0.585975 0.167156 O\n0.126026 0.040051 0.207206 O\n0.581181 0.167156 0.207206 O\n0.332844 0.918819 0.292794 O\n0.459949 0.373974 0.292794 O\n0.914025 0.040051 0.332844 O\n0.918819 0.292794 0.332844 O\n0.581181 0.914025 0.373974 O\n0.292794 0.459949 0.373974 O\n0.832844 0.540051 0.414025 O\n0.081181 0.873974 0.414025 O\n0.085975 0.626026 0.418819 O\n0.832844 0.792793 0.418819 O\n0.585975 0.167156 0.459949 O\n0.373974 0.292794 0.459949 O\n0.626026 0.707206 0.540051 O\n0.414025 0.832844 0.540051 O\n0.167156 0.207206 0.581181 O\n0.914025 0.373974 0.581181 O\n0.167156 0.459949 0.585975 O\n0.918819 0.126026 0.585975 O\n0.418819 0.085975 0.626026 O\n0.707206 0.540051 0.626026 O\n0.085975 0.959949 0.667156 O\n0.081181 0.707206 0.667156 O\n0.540051 0.626026 0.707206 O\n0.667156 0.081181 0.707206 O\n0.418819 0.832844 0.792793 O\n0.873974 0.959949 0.792793 O\n0.540051 0.414025 0.832844 O\n0.792793 0.418819 0.832844 O\n0.414025 0.081181 0.873974 O\n0.959949 0.792793 0.873974 O\n0.040051 0.332844 0.914025 O\n0.373974 0.581181 0.914025 O\n0.292794 0.332844 0.918819 O\n0.126026 0.585975 0.918819 O\n0.667156 0.085975 0.959949 O\n0.792793 0.873974 0.959949 O\n0.750000 0.875000 0.125000 Sb\n0.875000 0.250000 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.125000 0.875000 0.250000 Sb\n0.625000 0.750000 0.375000 Sb\n0.250000 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.750000 0.375000 0.625000 Sb\n0.375000 0.625000 0.750000 Sb\n0.875000 0.125000 0.750000 Sb\n0.250000 0.125000 0.875000 Sb\n0.125000 0.750000 0.875000 Sb\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Ce",
                "Mo",
                "O",
                "Sb"
            ],
            "chemical_system": "Ce-Mo-O-Sb",
            "density": 6.449287600321923,
            "density_atomic": 0.06641896738212236,
            "volume": 1204.4752147341148,
            "volume_molar": 9.066899106325081,
            "formula_full": "Ce12 Sb12 Mo8 O48",
            "formula_reduced": "Ce3Sb3(MoO6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.13854002840225,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1282658",
            "created_at": "2022-09-04T15:42:24.854130Z",
            "updated_at": "2022-09-04T15:42:24.854145Z",
            "structure_string": "Li12 Sc12 Mo8 O48\n1.0\n8.272134 4.775919 3.377085\n-8.272134 4.775919 3.377085\n0.000000 -9.551838 3.377085\nLi Mo O Sc\n12 8 48 12\ndirect\n0.875000 0.250001 0.125000 Li\n0.750000 0.874999 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.125000 0.875000 0.250001 Li\n0.250000 0.625000 0.375000 Li\n0.625000 0.750000 0.375000 Li\n0.375000 0.250000 0.625000 Li\n0.750000 0.375000 0.625000 Li\n0.875000 0.125000 0.750000 Li\n0.375000 0.625000 0.750000 Li\n0.125000 0.750000 0.875000 Li\n0.250001 0.125000 0.875000 Li\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\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\n0.250000 0.375000 0.125000 Sc\n0.375000 0.750000 0.125000 Sc\n0.375000 0.125000 0.250000 Sc\n0.875000 0.625000 0.250000 Sc\n0.125000 0.250000 0.375000 Sc\n0.750000 0.125000 0.375000 Sc\n0.875000 0.750000 0.625000 Sc\n0.250000 0.874999 0.625000 Sc\n0.125000 0.375000 0.750000 Sc\n0.625000 0.874999 0.750000 Sc\n0.625000 0.250000 0.874999 Sc\n0.750000 0.625000 0.874999 Sc\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Li",
                "Mo",
                "O",
                "Sc"
            ],
            "chemical_system": "Li-Mo-O-Sc",
            "density": 4.476967331020805,
            "density_atomic": 0.09993606185665564,
            "volume": 800.5118324028903,
            "volume_molar": 6.025993668469668,
            "formula_full": "Li12 Sc12 Mo8 O48",
            "formula_reduced": "Li3Sc3(MoO6)2",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -2.70978685590225,
            "spacegroup": 230
        },
        {
            "id": "oqmd-1350507",
            "created_at": "2022-09-04T15:46:55.078553Z",
            "updated_at": "2022-09-04T15:46:55.078575Z",
            "structure_string": "Nd12 Re8 Sb12 N48\n1.0\n-6.518485 6.518485 6.518485\n6.518485 -6.518485 6.518485\n6.518485 6.518485 -6.518485\nN Nd Re Sb\n48 12 8 12\ndirect\n0.195526 0.114215 0.025260 N\n0.329733 0.911044 0.025260 N\n0.885784 0.411044 0.081311 N\n0.695527 0.670267 0.081311 N\n0.614216 0.418689 0.088955 N\n0.974740 0.670266 0.088955 N\n0.025260 0.195526 0.114215 N\n0.588956 0.918690 0.114216 N\n0.474740 0.588955 0.170267 N\n0.195526 0.581311 0.170267 N\n0.114215 0.025260 0.195526 N\n0.581311 0.170267 0.195526 N\n0.474740 0.385784 0.304473 N\n0.329734 0.918689 0.304473 N\n0.911044 0.025260 0.329733 N\n0.918689 0.304473 0.329734 N\n0.304473 0.474740 0.385784 N\n0.581311 0.911044 0.385784 N\n0.829733 0.525260 0.411044 N\n0.081311 0.885784 0.411044 N\n0.088955 0.614216 0.418689 N\n0.829733 0.804473 0.418689 N\n0.588955 0.170267 0.474740 N\n0.385784 0.304473 0.474740 N\n0.614216 0.695527 0.525260 N\n0.411044 0.829733 0.525260 N\n0.170267 0.195526 0.581311 N\n0.911044 0.385784 0.581311 N\n0.170267 0.474740 0.588955 N\n0.918690 0.114216 0.588956 N\n0.418689 0.088955 0.614216 N\n0.695527 0.525260 0.614216 N\n0.088955 0.974740 0.670266 N\n0.081311 0.695527 0.670267 N\n0.670267 0.081311 0.695527 N\n0.525260 0.614216 0.695527 N\n0.885784 0.974740 0.804473 N\n0.418689 0.829733 0.804473 N\n0.525260 0.411044 0.829733 N\n0.804473 0.418689 0.829733 N\n0.411044 0.081311 0.885784 N\n0.974740 0.804473 0.885784 N\n0.025260 0.329733 0.911044 N\n0.385784 0.581311 0.911044 N\n0.304473 0.329734 0.918689 N\n0.114216 0.588956 0.918690 N\n0.804473 0.885784 0.974740 N\n0.670266 0.088955 0.974740 N\n0.250000 0.375000 0.125000 Nd\n0.375000 0.749999 0.125000 Nd\n0.375000 0.125000 0.250000 Nd\n0.875000 0.625000 0.250000 Nd\n0.749999 0.125000 0.375000 Nd\n0.125000 0.250000 0.375000 Nd\n0.874999 0.749999 0.625000 Nd\n0.250000 0.875000 0.625000 Nd\n0.125000 0.375000 0.749999 Nd\n0.625000 0.874999 0.749999 Nd\n0.749999 0.625000 0.874999 Nd\n0.625000 0.250000 0.875000 Nd\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\n0.874999 0.250000 0.125000 Sb\n0.750000 0.875000 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.125000 0.874999 0.250000 Sb\n0.250000 0.625000 0.375000 Sb\n0.625000 0.749999 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.749999 0.375000 0.625000 Sb\n0.375000 0.625000 0.749999 Sb\n0.875000 0.125000 0.750000 Sb\n0.250000 0.125000 0.874999 Sb\n0.125000 0.750000 0.875000 Sb\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "N",
                "Nd",
                "Re",
                "Sb"
            ],
            "chemical_system": "N-Nd-Re-Sb",
            "density": 8.024677565417777,
            "density_atomic": 0.07220877613373937,
            "volume": 1107.898572492495,
            "volume_molar": 8.339901439191086,
            "formula_full": "Nd12 Re8 Sb12 N48",
            "formula_reduced": "Nd3Re2(SbN4)3",
            "formula_anonymous": "A2B3C3D12",
            "formation_energy": -0.268745111581103,
            "spacegroup": 230
        }
    ]
}