GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12168
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12169",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12167",
    "results": [
        {
            "id": "mp-636934",
            "created_at": "2022-09-04T14:48:15.618508Z",
            "structure_string": "Bi12 O18\n1.0\n-5.416791 5.416791 5.416791\n5.416791 -5.416791 5.416791\n5.416791 5.416791 -5.416791\nBi O\n12 18\ndirect\n0.085139 0.492249 0.281839 Bi\n0.592890 0.789590 0.507751 Bi\n0.196700 0.407110 0.914861 Bi\n0.803300 0.718161 0.210410 Bi\n0.492249 0.281839 0.085139 Bi\n0.914861 0.196700 0.407110 Bi\n0.407110 0.914861 0.196700 Bi\n0.507751 0.592890 0.789590 Bi\n0.210410 0.803300 0.718161 Bi\n0.281839 0.085139 0.492249 Bi\n0.789590 0.507751 0.592890 Bi\n0.718161 0.210410 0.803300 Bi\n0.231066 0.000000 0.231066 O\n0.401631 0.071648 0.831424 O\n0.071648 0.831424 0.401631 O\n0.768934 0.768934 0.000000 O\n0.768934 0.000000 0.768934 O\n0.928352 0.329983 0.759777 O\n0.000000 0.768934 0.768934 O\n0.670016 0.598369 0.429793 O\n0.570207 0.168576 0.240223 O\n0.429793 0.670016 0.598369 O\n0.598369 0.429793 0.670016 O\n0.240223 0.570207 0.168576 O\n0.231066 0.231066 0.000000 O\n0.000000 0.231066 0.231066 O\n0.329983 0.759777 0.928352 O\n0.831424 0.401631 0.071648 O\n0.759777 0.928352 0.329984 O\n0.168576 0.240223 0.570207 O\n",
            "nsites": 30,
            "nelements": 2,
            "elements": [
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O",
            "density": 7.30233619031341,
            "density_atomic": 0.04718837540438812,
            "volume": 635.7497952177912,
            "volume_molar": 12.761915849809045,
            "formula_full": "Bi12 O18",
            "formula_reduced": "Bi2O3",
            "formula_anonymous": "A2B3",
            "energy": -176.73511661,
            "energy_per_atom": -5.891170553666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -164.36911661,
            "band_gap": 1.237,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001844,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:40:06.784000Z",
            "spacegroup": 197
        },
        {
            "id": "mp-1078202",
            "created_at": "2022-09-04T14:48:15.643621Z",
            "structure_string": "Yb4 Sn2 Ge4\n1.0\n7.375138 0.000000 0.000000\n0.000000 7.375138 0.000000\n0.000000 0.000000 4.387331\nYb Sn Ge\n4 2 4\ndirect\n0.675998 0.175998 0.500000 Yb\n0.324002 0.824002 0.500000 Yb\n0.175998 0.324002 0.500000 Yb\n0.824002 0.675998 0.500000 Yb\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.119598 0.619598 0.000000 Ge\n0.880402 0.380402 0.000000 Ge\n0.619598 0.880402 0.000000 Ge\n0.380402 0.119598 0.000000 Ge\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Yb",
                "Sn",
                "Ge"
            ],
            "chemical_system": "Ge-Sn-Yb",
            "density": 8.490202710716499,
            "density_atomic": 0.041904368205728425,
            "volume": 238.63860566767778,
            "volume_molar": 14.371152741008892,
            "formula_full": "Yb4 Sn2 Ge4",
            "formula_reduced": "Yb2SnGe2",
            "formula_anonymous": "AB2C2",
            "energy": -38.84707177,
            "energy_per_atom": -3.884707177,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.84707177,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003617,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:56.838000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-1191793",
            "created_at": "2022-09-04T14:48:11.359261Z",
            "structure_string": "Nd4 C4 O16\n1.0\n4.989747 0.000000 0.000000\n0.000000 7.357248 0.000000\n0.000000 0.000000 8.454121\nNd C O\n4 4 16\ndirect\n0.250000 0.354549 0.333511 Nd\n0.250000 0.854549 0.166489 Nd\n0.750000 0.645451 0.666489 Nd\n0.750000 0.145451 0.833511 Nd\n0.250000 0.303246 0.679696 C\n0.250000 0.803246 0.820304 C\n0.750000 0.696754 0.320304 C\n0.750000 0.196754 0.179696 C\n0.250000 0.036906 0.399908 O\n0.250000 0.536906 0.100092 O\n0.750000 0.963094 0.600092 O\n0.750000 0.463094 0.899908 O\n0.750000 0.294776 0.305574 O\n0.750000 0.794776 0.194426 O\n0.250000 0.705224 0.694426 O\n0.250000 0.205224 0.805574 O\n0.975231 0.651082 0.386135 O\n0.524769 0.151082 0.113865 O\n0.475231 0.348918 0.613865 O\n0.024769 0.848918 0.886135 O\n0.024769 0.348918 0.613865 O\n0.475231 0.848918 0.886135 O\n0.524769 0.651082 0.386135 O\n0.975231 0.151082 0.113865 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Nd",
                "C",
                "O"
            ],
            "chemical_system": "C-Nd-O",
            "density": 4.7137138709323,
            "density_atomic": 0.07733015149471834,
            "volume": 310.35759708345074,
            "volume_molar": 7.787571398216274,
            "formula_full": "Nd4 C4 O16",
            "formula_reduced": "NdCO4",
            "formula_anonymous": "ABC4",
            "energy": -193.78578338,
            "energy_per_atom": -8.074407640833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -182.79378338,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0005087,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:35.735000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1084834",
            "created_at": "2022-09-04T14:48:11.368627Z",
            "structure_string": "K6 Tc3\n1.0\n4.868777 -8.432969 0.000000\n4.868777 8.432969 0.000000\n0.000000 0.000000 4.944836\nK Tc\n6 3\ndirect\n0.409227 0.409227 0.000000 K\n0.590773 0.000000 0.000000 K\n0.000000 0.590773 0.000000 K\n0.741402 0.741402 0.500000 K\n0.258598 0.000000 0.500000 K\n0.000000 0.258598 0.500000 K\n0.000000 0.000000 0.000000 Tc\n0.666667 0.333333 0.500000 Tc\n0.333333 0.666667 0.500000 Tc\n",
            "nsites": 9,
            "nelements": 2,
            "elements": [
                "K",
                "Tc"
            ],
            "chemical_system": "K-Tc",
            "density": 2.161651111762028,
            "density_atomic": 0.02216461714960463,
            "volume": 406.0525809786226,
            "volume_molar": 27.170064429050708,
            "formula_full": "K6 Tc3",
            "formula_reduced": "K2Tc",
            "formula_anonymous": "AB2",
            "energy": -23.5662116,
            "energy_per_atom": -2.6184679555555554,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -23.5662116,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.8260212,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:23.575000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-3839",
            "created_at": "2022-09-04T14:48:11.369289Z",
            "structure_string": "Ga2 Cu2 Te4\n1.0\n-3.043530 3.043530 6.076328\n3.043530 -3.043530 6.076328\n3.043530 3.043530 -6.076328\nGa Cu Te\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.375000 0.361831 0.486831 Te\n0.638169 0.125000 0.013169 Te\n0.111831 0.625000 0.986831 Te\n0.875000 0.888169 0.513169 Te\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Ga",
                "Cu",
                "Te"
            ],
            "chemical_system": "Cu-Ga-Te",
            "density": 5.730322789813026,
            "density_atomic": 0.03553314210649029,
            "volume": 225.14192457353113,
            "volume_molar": 16.947954509488845,
            "formula_full": "Ga2 Cu2 Te4",
            "formula_reduced": "GaCuTe2",
            "formula_anonymous": "ABC2",
            "energy": -30.79155602,
            "energy_per_atom": -3.8489445025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -29.10355602,
            "band_gap": 0.2057999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 7.58e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:24.287000Z",
            "spacegroup": 122
        },
        {
            "id": "mp-606304",
            "created_at": "2022-09-04T14:48:19.086824Z",
            "structure_string": "Mg2 H32 C8 S8 N4 O32 F24\n1.0\n16.269857 0.000000 0.000000\n0.000000 7.435842 0.000000\n0.000000 5.504888 13.615613\nMg H C S N O F\n2 32 8 8 4 32 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.033290 0.991545 0.748861 H\n0.227494 0.490351 0.303491 H\n0.164098 0.496445 0.624867 H\n0.466710 0.991545 0.248861 H\n0.599390 0.891964 0.661090 H\n0.835902 0.503555 0.375133 H\n0.138393 0.904037 0.863399 H\n0.772506 0.509649 0.696509 H\n0.400610 0.108036 0.338910 H\n0.310854 0.408095 0.354499 H\n0.810854 0.591905 0.145501 H\n0.839091 0.768867 0.788935 H\n0.533290 0.008455 0.751139 H\n0.861607 0.095963 0.136601 H\n0.727494 0.509649 0.196509 H\n0.099390 0.108036 0.838910 H\n0.787404 0.941527 0.400484 H\n0.339091 0.231133 0.711065 H\n0.212596 0.058473 0.599516 H\n0.272506 0.490351 0.803491 H\n0.966710 0.008455 0.251139 H\n0.664098 0.503555 0.875133 H\n0.287404 0.058473 0.099516 H\n0.689146 0.591905 0.645501 H\n0.335902 0.496445 0.124867 H\n0.160909 0.231133 0.211065 H\n0.638393 0.095963 0.636601 H\n0.900610 0.891964 0.161090 H\n0.660909 0.768867 0.288935 H\n0.712596 0.941527 0.900484 H\n0.189146 0.408095 0.854499 H\n0.361607 0.904037 0.363399 H\n0.887790 0.460540 0.426207 C\n0.641491 0.863304 0.151352 C\n0.858509 0.863304 0.651352 C\n0.358509 0.136696 0.848648 C\n0.387790 0.539460 0.073793 C\n0.112210 0.539460 0.573793 C\n0.141491 0.136696 0.348648 C\n0.612210 0.460540 0.926207 C\n0.650219 0.280895 0.418540 S\n0.748032 0.995984 0.313837 S\n0.349781 0.719105 0.581460 S\n0.849781 0.280895 0.918540 S\n0.248032 0.004016 0.186163 S\n0.251968 0.004016 0.686163 S\n0.150219 0.719105 0.081460 S\n0.751968 0.995984 0.813837 S\n0.801613 0.780423 0.848301 N\n0.198387 0.219577 0.151699 N\n0.698387 0.780423 0.348301 N\n0.301613 0.219577 0.651699 N\n0.248277 0.382302 0.857620 O\n0.028919 0.391544 0.789143 O\n0.585659 0.028391 0.647981 O\n0.751723 0.617698 0.142380 O\n0.272370 0.730786 0.637720 O\n0.596729 0.446538 0.360419 O\n0.096729 0.553462 0.139581 O\n0.069883 0.311212 0.869062 O\n0.695509 0.661919 0.433777 O\n0.772370 0.269214 0.862280 O\n0.727630 0.269214 0.362280 O\n0.227630 0.730786 0.137720 O\n0.748277 0.617698 0.642380 O\n0.403271 0.553462 0.639581 O\n0.085659 0.971609 0.852019 O\n0.971081 0.608456 0.210857 O\n0.898114 0.088724 0.933973 O\n0.304491 0.338081 0.566223 O\n0.601886 0.088724 0.433973 O\n0.251723 0.382302 0.357620 O\n0.398114 0.911276 0.566027 O\n0.430117 0.311212 0.369062 O\n0.804491 0.661919 0.933777 O\n0.471081 0.391544 0.289143 O\n0.101886 0.911276 0.066027 O\n0.914341 0.028391 0.147981 O\n0.903271 0.446538 0.860419 O\n0.569883 0.688788 0.630938 O\n0.930117 0.688788 0.130938 O\n0.528919 0.608456 0.710857 O\n0.414341 0.971609 0.352019 O\n0.195509 0.338081 0.066223 O\n0.555575 0.604539 0.904697 F\n0.993619 0.004168 0.698163 F\n0.575947 0.299900 0.921395 F\n0.137963 0.579950 0.480468 F\n0.679369 0.029235 0.099941 F\n0.075947 0.700100 0.578605 F\n0.320631 0.970765 0.900059 F\n0.493619 0.995832 0.801837 F\n0.637963 0.420050 0.019532 F\n0.444425 0.395461 0.095303 F\n0.006381 0.995832 0.301837 F\n0.055575 0.395461 0.595303 F\n0.900945 0.817533 0.587608 F\n0.099055 0.182467 0.412392 F\n0.424053 0.700100 0.078605 F\n0.179369 0.970765 0.400059 F\n0.820631 0.029235 0.599941 F\n0.506381 0.004168 0.198163 F\n0.944425 0.604539 0.404697 F\n0.362037 0.579950 0.980468 F\n0.400945 0.182467 0.912392 F\n0.862037 0.420050 0.519532 F\n0.599055 0.817533 0.087608 F\n0.924053 0.299900 0.421395 F\n",
            "nsites": 110,
            "nelements": 7,
            "elements": [
                "Mg",
                "H",
                "C",
                "S",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-Mg-N-O-S",
            "density": 1.4692252501552048,
            "density_atomic": 0.06677925925468403,
            "volume": 1647.2180318814242,
            "volume_molar": 9.017980773091004,
            "formula_full": "Mg2 H32 C8 S8 N4 O32 F24",
            "formula_reduced": "MgH16C4S4N2(O4F3)4",
            "formula_anonymous": "AB2C4D4E12F16G16",
            "energy": -576.49218729,
            "energy_per_atom": -5.240838066272727,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -543.42018729,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001564,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:49.477000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-15652",
            "created_at": "2022-09-04T14:48:20.311425Z",
            "structure_string": "Rh3 Pb2 S2\n1.0\n4.998934 -2.905174 0.000000\n4.998934 2.905174 0.000000\n3.310566 0.000000 4.740203\nRh Pb S\n3 2 2\ndirect\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.718283 0.718283 0.718283 S\n0.281717 0.281717 0.281717 S\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "Rh",
                "Pb",
                "S"
            ],
            "chemical_system": "Pb-Rh-S",
            "density": 9.49474592784569,
            "density_atomic": 0.05084187422157902,
            "volume": 137.68178508708402,
            "volume_molar": 11.844844141178413,
            "formula_full": "Rh3 Pb2 S2",
            "formula_reduced": "Rh3(PbS)2",
            "formula_anonymous": "A2B2C3",
            "energy": -41.35770438,
            "energy_per_atom": -5.908243482857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.35170438,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.51e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:48.556000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-17100",
            "created_at": "2022-09-04T14:48:21.844630Z",
            "structure_string": "In8 P8 O28\n1.0\n10.623094 0.000000 0.000000\n0.000000 7.656647 0.000000\n0.000000 2.428377 8.266290\nIn P O\n8 8 28\ndirect\n0.679783 0.328130 0.064704 In\n0.179783 0.671870 0.435296 In\n0.320217 0.671870 0.935296 In\n0.820217 0.328130 0.564704 In\n0.600794 0.739160 0.241654 In\n0.100794 0.260840 0.258346 In\n0.399206 0.260840 0.758346 In\n0.899206 0.739160 0.741654 In\n0.634955 0.935994 0.809147 P\n0.134955 0.064006 0.690853 P\n0.365045 0.064006 0.190853 P\n0.865045 0.935994 0.309147 P\n0.597863 0.629952 0.674497 P\n0.097863 0.370048 0.825503 P\n0.402137 0.370048 0.325503 P\n0.902137 0.629952 0.174497 P\n0.604735 0.816547 0.978880 O\n0.104735 0.183453 0.521120 O\n0.395265 0.183453 0.021120 O\n0.895265 0.816547 0.478880 O\n0.576747 0.126195 0.765308 O\n0.076747 0.873805 0.734692 O\n0.423253 0.873805 0.234692 O\n0.923253 0.126195 0.265308 O\n0.568752 0.834033 0.686608 O\n0.068752 0.165967 0.813392 O\n0.431248 0.165967 0.313392 O\n0.931248 0.834033 0.186608 O\n0.729100 0.572680 0.749872 O\n0.229100 0.427320 0.750128 O\n0.270900 0.427320 0.250128 O\n0.770900 0.572680 0.249872 O\n0.907684 0.635872 0.998531 O\n0.407684 0.364128 0.501469 O\n0.092316 0.364128 0.001469 O\n0.592316 0.635872 0.498531 O\n0.776018 0.955019 0.766278 O\n0.276018 0.044981 0.733722 O\n0.223982 0.044981 0.233722 O\n0.723982 0.955019 0.266278 O\n0.996017 0.492766 0.721245 O\n0.496017 0.507234 0.778755 O\n0.003983 0.507234 0.278755 O\n0.503983 0.492766 0.221245 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "In",
                "P",
                "O"
            ],
            "chemical_system": "In-O-P",
            "density": 3.9869217384399556,
            "density_atomic": 0.0654413710944103,
            "volume": 672.3575509523254,
            "volume_molar": 9.20234502928131,
            "formula_full": "In8 P8 O28",
            "formula_reduced": "In2P2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -308.55854481,
            "energy_per_atom": -7.012694200227273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -289.32254481,
            "band_gap": 3.6658,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011629,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:49.307000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-555363",
            "created_at": "2022-09-04T14:48:11.331096Z",
            "structure_string": "Na12 Cd6 Si12 O36\n1.0\n7.556923 0.000000 0.000000\n0.000000 10.547446 0.000000\n0.000000 0.000000 10.662117\nNa Cd Si O\n12 6 12 36\ndirect\n0.233200 0.255666 0.508129 Na\n0.494946 0.000000 0.490897 Na\n0.272246 0.000000 0.726525 Na\n0.766800 0.755666 0.008129 Na\n0.282739 0.274461 0.980932 Na\n0.282739 0.725539 0.980932 Na\n0.766800 0.244334 0.008129 Na\n0.233200 0.744334 0.508129 Na\n0.717261 0.225539 0.480932 Na\n0.727754 0.500000 0.226525 Na\n0.717261 0.774461 0.480932 Na\n0.505054 0.500000 0.990897 Na\n0.982137 0.500000 0.497374 Cd\n0.734898 0.500000 0.754278 Cd\n0.749336 0.000000 0.247044 Cd\n0.250664 0.500000 0.747044 Cd\n0.017863 0.000000 0.997374 Cd\n0.265102 0.000000 0.254278 Cd\n0.031912 0.721760 0.240708 Si\n0.500838 0.500000 0.464262 Si\n0.968088 0.778240 0.740708 Si\n0.997940 0.000000 0.528221 Si\n0.968088 0.221760 0.740708 Si\n0.465952 0.721955 0.255424 Si\n0.499162 0.000000 0.964262 Si\n0.002060 0.500000 0.028221 Si\n0.534048 0.221955 0.755424 Si\n0.031912 0.278240 0.240708 Si\n0.465952 0.278045 0.255424 Si\n0.534048 0.778045 0.755424 Si\n0.019657 0.363020 0.688859 O\n0.247346 0.282353 0.260600 O\n0.980343 0.136980 0.188859 O\n0.479215 0.636834 0.803039 O\n0.808016 0.000000 0.460588 O\n0.752654 0.217647 0.760600 O\n0.322994 0.000000 0.053734 O\n0.981258 0.375152 0.123094 O\n0.677006 0.500000 0.553734 O\n0.247346 0.717647 0.260600 O\n0.460400 0.171392 0.623944 O\n0.539600 0.671392 0.123944 O\n0.528233 0.624926 0.371759 O\n0.179909 0.000000 0.447829 O\n0.460400 0.828608 0.623944 O\n0.471767 0.875074 0.871759 O\n0.191984 0.500000 0.960588 O\n0.520785 0.863166 0.303039 O\n0.057478 0.172475 0.870113 O\n0.694813 0.000000 0.028048 O\n0.019657 0.636980 0.688859 O\n0.018742 0.875152 0.623094 O\n0.980343 0.863020 0.188859 O\n0.981258 0.624848 0.123094 O\n0.539600 0.328608 0.123944 O\n0.942522 0.672475 0.370113 O\n0.752654 0.782353 0.760600 O\n0.520785 0.136834 0.303039 O\n0.479215 0.363166 0.803039 O\n0.471767 0.124926 0.871759 O\n0.018742 0.124848 0.623094 O\n0.820091 0.500000 0.947829 O\n0.528233 0.375074 0.371759 O\n0.057478 0.827525 0.870113 O\n0.305187 0.500000 0.528048 O\n0.942522 0.327525 0.370113 O\n",
            "nsites": 66,
            "nelements": 4,
            "elements": [
                "Na",
                "Cd",
                "Si",
                "O"
            ],
            "chemical_system": "Cd-Na-O-Si",
            "density": 3.6408872626575235,
            "density_atomic": 0.07766193086508817,
            "volume": 849.8372273881922,
            "volume_molar": 7.754302130939122,
            "formula_full": "Na12 Cd6 Si12 O36",
            "formula_reduced": "Na2Cd(SiO3)2",
            "formula_anonymous": "AB2C2D6",
            "energy": -437.75878839,
            "energy_per_atom": -6.632708915,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -413.02678839,
            "band_gap": 2.87,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0010872,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:27.685000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1204200",
            "created_at": "2022-09-04T14:48:16.442597Z",
            "structure_string": "Si6 Ge4 H66 C22\n1.0\n9.616018 0.000000 0.000000\n-3.946745 8.784463 0.000000\n-3.213248 -2.022970 13.922867\nSi Ge H C\n6 4 66 22\ndirect\n0.371182 0.920144 0.689696 Si\n0.628818 0.079856 0.310304 Si\n0.265983 0.555046 0.826648 Si\n0.734017 0.444954 0.173352 Si\n0.020006 0.796307 0.813386 Si\n0.979994 0.203693 0.186614 Si\n0.157435 0.700398 0.722792 Ge\n0.842565 0.299602 0.277208 Ge\n0.957037 0.528372 0.572023 Ge\n0.042963 0.471628 0.427977 Ge\n0.604290 0.958032 0.629084 H\n0.395710 0.041968 0.370916 H\n0.569284 0.810331 0.703247 H\n0.430716 0.189669 0.296753 H\n0.451863 0.770145 0.583006 H\n0.548137 0.229855 0.416994 H\n0.223928 0.943264 0.527791 H\n0.776072 0.056736 0.472209 H\n0.218002 0.066232 0.620355 H\n0.781998 0.933768 0.379645 H\n0.392716 0.117741 0.580821 H\n0.607284 0.882259 0.419179 H\n0.583759 0.167239 0.780569 H\n0.416241 0.832761 0.219431 H\n0.419689 0.110328 0.831077 H\n0.580311 0.889672 0.168923 H\n0.551735 0.021869 0.856380 H\n0.448265 0.978131 0.143620 H\n0.543449 0.760119 0.893381 H\n0.456551 0.239881 0.106619 H\n0.419734 0.767426 0.966894 H\n0.580266 0.232574 0.033106 H\n0.488627 0.621890 0.972434 H\n0.511373 0.378110 0.027566 H\n0.171028 0.357039 0.931717 H\n0.828972 0.642961 0.068283 H\n0.089141 0.491201 0.938493 H\n0.910859 0.508799 0.061507 H\n0.009272 0.343736 0.837793 H\n0.990728 0.656264 0.162207 H\n0.227176 0.340739 0.705211 H\n0.772824 0.659261 0.294789 H\n0.416146 0.497358 0.720841 H\n0.583854 0.502642 0.279159 H\n0.382295 0.371636 0.808936 H\n0.617705 0.628364 0.191064 H\n0.740931 0.596212 0.745421 H\n0.259069 0.403788 0.254579 H\n0.836292 0.540704 0.847814 H\n0.163708 0.459296 0.152186 H\n0.768676 0.684421 0.862378 H\n0.231324 0.315579 0.137622 H\n0.158337 0.784084 0.981623 H\n0.841663 0.215916 0.018377 H\n0.257063 0.967748 0.947216 H\n0.742937 0.032252 0.052784 H\n0.077194 0.919460 0.980214 H\n0.922806 0.080540 0.019786 H\n0.916250 0.995367 0.801709 H\n0.083750 0.004633 0.198291 H\n0.094061 0.059941 0.764725 H\n0.905939 0.940059 0.235275 H\n0.913423 0.924879 0.685523 H\n0.086577 0.075121 0.314477 H\n0.755774 0.635532 0.587436 H\n0.244226 0.364468 0.412564 H\n0.853908 0.722498 0.499141 H\n0.146092 0.277502 0.500859 H\n0.701762 0.530581 0.471352 H\n0.298238 0.469419 0.528648 H\n0.731766 0.257817 0.557268 H\n0.268234 0.742183 0.442732 H\n0.908560 0.266235 0.634977 H\n0.091440 0.733765 0.365023 H\n0.797502 0.352801 0.677250 H\n0.202498 0.647199 0.322750 H\n0.511451 0.857659 0.647013 C\n0.488549 0.142341 0.352987 C\n0.293065 0.020288 0.595596 C\n0.706935 0.979712 0.404404 C\n0.492165 0.067900 0.800345 C\n0.507835 0.932100 0.199655 C\n0.446210 0.689779 0.923642 C\n0.553790 0.310221 0.076358 C\n0.118968 0.424735 0.889072 C\n0.881032 0.575265 0.110928 C\n0.328365 0.429622 0.758310 C\n0.671635 0.570378 0.241690 C\n0.823231 0.638962 0.817175 C\n0.176769 0.361038 0.182825 C\n0.140675 0.873786 0.942404 C\n0.859325 0.126214 0.057596 C\n0.982704 0.959073 0.760835 C\n0.017296 0.040927 0.239165 C\n0.801424 0.614232 0.527899 C\n0.198576 0.385768 0.472101 C\n0.836672 0.330023 0.615020 C\n0.163328 0.669977 0.384980 C\n",
            "nsites": 98,
            "nelements": 4,
            "elements": [
                "Si",
                "Ge",
                "H",
                "C"
            ],
            "chemical_system": "C-Ge-H-Si",
            "density": 1.1151798266366888,
            "density_atomic": 0.08332722435683416,
            "volume": 1176.0862161966688,
            "volume_molar": 7.227098714114421,
            "formula_full": "Si6 Ge4 H66 C22",
            "formula_reduced": "Si3Ge2(H3C)11",
            "formula_anonymous": "A2B3C11D33",
            "energy": -496.00287191,
            "energy_per_atom": -5.061253795,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -496.00287191,
            "band_gap": 3.5375,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001707,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:54.319000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-30253",
            "created_at": "2022-09-04T14:48:16.450253Z",
            "structure_string": "Na10 Sr1 Sn12\n1.0\n-5.678100 5.678100 5.678100\n5.678100 -5.678100 5.678100\n5.678100 5.678100 -5.678100\nNa Sr Sn\n10 1 12\ndirect\n0.250000 0.500000 0.750000 Na\n0.387952 0.387952 0.387952 Na\n0.000000 0.612048 0.000000 Na\n0.612048 0.000000 0.000000 Na\n0.000000 0.000000 0.612048 Na\n0.750000 0.500000 0.250000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.500000 0.250000 0.750000 Na\n0.500000 0.750000 0.250000 Na\n0.000000 0.000000 0.000000 Sr\n0.628094 0.628094 0.816613 Sn\n0.000000 0.188519 0.371906 Sn\n0.188519 0.000000 0.371906 Sn\n0.811481 0.183387 0.811481 Sn\n0.183387 0.811481 0.811481 Sn\n0.816613 0.628094 0.628094 Sn\n0.000000 0.371906 0.188519 Sn\n0.371906 0.000000 0.188519 Sn\n0.628094 0.816613 0.628094 Sn\n0.188519 0.371906 0.000000 Sn\n0.371906 0.188519 0.000000 Sn\n0.811481 0.811481 0.183387 Sn\n",
            "nsites": 23,
            "nelements": 3,
            "elements": [
                "Na",
                "Sr",
                "Sn"
            ],
            "chemical_system": "Na-Sn-Sr",
            "density": 3.950367897137134,
            "density_atomic": 0.03140933446207824,
            "volume": 732.2663913101638,
            "volume_molar": 19.173092531682816,
            "formula_full": "Na10 Sr1 Sn12",
            "formula_reduced": "Na10SrSn12",
            "formula_anonymous": "AB10C12",
            "energy": -69.1284745,
            "energy_per_atom": -3.0055858478260866,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.1284745,
            "band_gap": 0.6698,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0021411,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:41.987000Z",
            "spacegroup": 217
        },
        {
            "id": "mp-541859",
            "created_at": "2022-09-04T14:48:21.525344Z",
            "structure_string": "Tb12 Os5 C15\n1.0\n5.375163 -9.310055 0.000000\n5.375163 9.310055 0.000000\n0.000000 0.000000 5.115906\nTb Os C\n12 5 15\ndirect\n0.272415 0.455888 0.000000 Tb\n0.183473 0.727585 0.000000 Tb\n0.544112 0.816527 0.000000 Tb\n0.816527 0.544112 0.000000 Tb\n0.727585 0.183473 0.000000 Tb\n0.455888 0.272415 0.000000 Tb\n0.434311 0.000000 0.500000 Tb\n0.565689 0.565689 0.500000 Tb\n0.000000 0.434311 0.500000 Tb\n0.794008 0.000000 0.500000 Tb\n0.205992 0.205992 0.500000 Tb\n0.000000 0.794008 0.500000 Tb\n0.161061 0.000000 0.000000 Os\n0.838939 0.838939 0.000000 Os\n0.000000 0.161061 0.000000 Os\n0.333333 0.666667 0.500000 Os\n0.666667 0.333333 0.500000 Os\n0.282819 0.468367 0.500000 C\n0.185548 0.717181 0.500000 C\n0.531633 0.814452 0.500000 C\n0.814452 0.531633 0.500000 C\n0.717181 0.185548 0.500000 C\n0.468367 0.282819 0.500000 C\n0.335687 0.000000 0.000000 C\n0.664313 0.664313 0.000000 C\n0.000000 0.335687 0.000000 C\n0.460054 0.000000 0.000000 C\n0.539946 0.539946 0.000000 C\n0.000000 0.460054 0.000000 C\n0.792775 0.000000 0.000000 C\n0.207225 0.207225 0.000000 C\n0.000000 0.792775 0.000000 C\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Tb",
                "Os",
                "C"
            ],
            "chemical_system": "C-Os-Tb",
            "density": 9.853708465383727,
            "density_atomic": 0.062496189905401574,
            "volume": 512.0312141978151,
            "volume_molar": 9.636012641915478,
            "formula_full": "Tb12 Os5 C15",
            "formula_reduced": "Tb12(OsC3)5",
            "formula_anonymous": "A5B12C15",
            "energy": -261.07329462,
            "energy_per_atom": -8.158540456875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -261.07329462,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.1980321,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:09.972000Z",
            "spacegroup": 189
        }
    ]
}