GET /third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=89
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=energy_above_hull&page=90",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=88",
    "results": [
        {
            "id": "mp-3380",
            "created_at": "2022-09-04T14:40:29.730459Z",
            "structure_string": "La4 Rh4 C8\n1.0\n3.991291 0.000000 0.000000\n0.000000 3.991291 0.000000\n0.000000 0.000000 15.419415\nLa Rh C\n4 4 8\ndirect\n0.851593 0.850991 0.375752 La\n0.149009 0.851593 0.625752 La\n0.850991 0.148407 0.125752 La\n0.148407 0.149009 0.875752 La\n0.659088 0.647156 0.969494 Rh\n0.352844 0.659088 0.219494 Rh\n0.647156 0.340912 0.719494 Rh\n0.340912 0.352844 0.469494 Rh\n0.649417 0.334293 0.584968 C\n0.665707 0.649417 0.834968 C\n0.334293 0.350583 0.334968 C\n0.350583 0.665707 0.084968 C\n0.846527 0.346197 0.513486 C\n0.653803 0.846527 0.763486 C\n0.346197 0.153473 0.263486 C\n0.153473 0.653803 0.013486 C\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "La",
                "Rh",
                "C"
            ],
            "chemical_system": "C-La-Rh",
            "density": 7.1882350393935015,
            "density_atomic": 0.06513663213874431,
            "volume": 245.6375080295707,
            "volume_molar": 9.245397808060657,
            "formula_full": "La4 Rh4 C8",
            "formula_reduced": "LaRhC2",
            "formula_anonymous": "ABC2",
            "energy": -128.3176739,
            "energy_per_atom": -8.01985461875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -128.3176739,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002685,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:02.921000Z",
            "spacegroup": 76
        },
        {
            "id": "mp-557347",
            "created_at": "2022-09-04T14:40:29.733735Z",
            "structure_string": "Ca4 As6 Pb6 Cl2 O24\n1.0\n5.198341 -9.003791 0.000000\n5.198341 9.003791 0.000000\n0.000000 0.000000 7.181413\nCa As Pb Cl O\n4 6 6 2 24\ndirect\n0.666667 0.333333 0.506169 Ca\n0.333333 0.666667 0.493831 Ca\n0.666667 0.333333 0.993831 Ca\n0.333333 0.666667 0.006169 Ca\n0.608743 0.029775 0.250000 As\n0.029775 0.421033 0.750000 As\n0.578967 0.608743 0.750000 As\n0.391257 0.970225 0.750000 As\n0.970225 0.578967 0.250000 As\n0.421033 0.391257 0.250000 As\n0.235500 0.262034 0.750000 Pb\n0.026533 0.764500 0.750000 Pb\n0.764500 0.737966 0.250000 Pb\n0.737966 0.973467 0.750000 Pb\n0.973467 0.235500 0.250000 Pb\n0.262034 0.026533 0.250000 Pb\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.363523 0.274565 0.440741 O\n0.530762 0.144843 0.250000 O\n0.725435 0.088958 0.059259 O\n0.911042 0.636477 0.059259 O\n0.469238 0.855157 0.750000 O\n0.088958 0.363523 0.559259 O\n0.274565 0.911042 0.940741 O\n0.633456 0.478605 0.750000 O\n0.144843 0.614081 0.750000 O\n0.385919 0.530762 0.750000 O\n0.366544 0.521395 0.250000 O\n0.636477 0.725435 0.940741 O\n0.845149 0.366544 0.750000 O\n0.154851 0.633456 0.250000 O\n0.636477 0.725435 0.559259 O\n0.274565 0.911042 0.559259 O\n0.088958 0.363523 0.940741 O\n0.855157 0.385919 0.250000 O\n0.478605 0.845149 0.250000 O\n0.363523 0.274565 0.059259 O\n0.614081 0.469238 0.250000 O\n0.911042 0.636477 0.440741 O\n0.725435 0.088958 0.440741 O\n0.521395 0.154851 0.750000 O\n",
            "nsites": 42,
            "nelements": 5,
            "elements": [
                "Ca",
                "As",
                "Pb",
                "Cl",
                "O"
            ],
            "chemical_system": "As-Ca-Cl-O-Pb",
            "density": 5.700884766354855,
            "density_atomic": 0.062476863815577585,
            "volume": 672.2488523748208,
            "volume_molar": 9.638993368451501,
            "formula_full": "Ca4 As6 Pb6 Cl2 O24",
            "formula_reduced": "Ca2As3Pb3ClO12",
            "formula_anonymous": "AB2C3D3E12",
            "energy": -271.38611455,
            "energy_per_atom": -6.461574155952381,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -253.67011455,
            "band_gap": 3.4992,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0053163,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:03.605000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-759455",
            "created_at": "2022-09-04T14:40:29.736563Z",
            "structure_string": "Li4 Sb4 P8 O28\n1.0\n9.045406 0.000000 0.000000\n0.000000 7.460062 0.000000\n0.000000 4.298634 8.221736\nLi Sb P O\n4 4 8 28\ndirect\n0.567749 0.182997 0.890556 Li\n0.067749 0.817003 0.609444 Li\n0.932251 0.182997 0.390556 Li\n0.432251 0.817003 0.109444 Li\n0.937718 0.282846 0.853333 Sb\n0.437718 0.717154 0.646667 Sb\n0.562282 0.282846 0.353333 Sb\n0.062282 0.717154 0.146667 Sb\n0.724541 0.518463 0.542303 P\n0.224541 0.481537 0.957697 P\n0.725317 0.942502 0.244453 P\n0.225317 0.057498 0.255547 P\n0.774683 0.942502 0.744453 P\n0.274683 0.057498 0.755547 P\n0.775459 0.518463 0.042303 P\n0.275459 0.481537 0.457697 P\n0.592732 0.455622 0.659953 O\n0.875626 0.518377 0.624714 O\n0.757254 0.399335 0.945269 O\n0.257254 0.600665 0.554731 O\n0.375626 0.481623 0.875286 O\n0.685242 0.747226 0.419020 O\n0.092732 0.544378 0.840047 O\n0.232128 0.886226 0.203535 O\n0.878655 0.905946 0.194226 O\n0.602626 0.968249 0.126999 O\n0.814758 0.747226 0.919020 O\n0.102626 0.031751 0.373001 O\n0.267872 0.886226 0.703535 O\n0.621345 0.905946 0.694226 O\n0.378655 0.094054 0.305774 O\n0.732128 0.113774 0.296465 O\n0.897374 0.968249 0.626999 O\n0.185242 0.252774 0.080980 O\n0.397374 0.031751 0.873001 O\n0.121345 0.094054 0.805774 O\n0.767872 0.113774 0.796465 O\n0.907268 0.455622 0.159953 O\n0.314758 0.252774 0.580980 O\n0.624374 0.518377 0.124714 O\n0.742746 0.399335 0.445269 O\n0.242746 0.600665 0.054731 O\n0.124374 0.481623 0.375286 O\n0.407268 0.544378 0.340047 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Li",
                "Sb",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-Sb",
            "density": 3.623327522862494,
            "density_atomic": 0.07930830120832107,
            "volume": 554.7969043546162,
            "volume_molar": 7.593329661899445,
            "formula_full": "Li4 Sb4 P8 O28",
            "formula_reduced": "LiSbP2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -314.35429706,
            "energy_per_atom": -7.1444158422727275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -295.11829706,
            "band_gap": 3.1317000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:59.299000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-779456",
            "created_at": "2022-09-04T14:40:29.740812Z",
            "structure_string": "Y8 Re4 O20\n1.0\n8.577342 0.000000 0.000000\n0.000000 8.577342 0.000000\n0.000000 0.000000 5.689649\nY Re O\n8 4 20\ndirect\n0.360004 0.350247 0.249812 Y\n0.649753 0.360004 0.750188 Y\n0.350247 0.639996 0.750188 Y\n0.639996 0.649753 0.249812 Y\n0.860004 0.850247 0.750188 Y\n0.149753 0.860004 0.249812 Y\n0.850247 0.139996 0.249812 Y\n0.139996 0.149753 0.750188 Y\n0.000000 0.500000 0.544942 Re\n0.000000 0.500000 0.148928 Re\n0.500000 0.000000 0.455058 Re\n0.500000 0.000000 0.851072 Re\n0.906214 0.297463 0.602314 O\n0.095141 0.297672 0.099167 O\n0.202537 0.406214 0.602314 O\n0.797672 0.404859 0.099167 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.202328 0.595141 0.099167 O\n0.797463 0.593786 0.602314 O\n0.904859 0.702328 0.099167 O\n0.093786 0.702537 0.602314 O\n0.406214 0.797463 0.397686 O\n0.595141 0.797672 0.900833 O\n0.702537 0.906214 0.397686 O\n0.297672 0.904859 0.900833 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.702328 0.095141 0.900833 O\n0.297463 0.093786 0.397686 O\n0.404859 0.202328 0.900833 O\n0.593786 0.202537 0.397686 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Y",
                "Re",
                "O"
            ],
            "chemical_system": "O-Re-Y",
            "density": 7.045575718724683,
            "density_atomic": 0.07644675398290811,
            "volume": 418.5920046671246,
            "volume_molar": 7.877562415987504,
            "formula_full": "Y8 Re4 O20",
            "formula_reduced": "Y2ReO5",
            "formula_anonymous": "AB2C5",
            "energy": -303.45065525,
            "energy_per_atom": -9.4828329765625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -289.71065525,
            "band_gap": 0.6190000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0012204,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.827000Z",
            "spacegroup": 85
        },
        {
            "id": "mp-569697",
            "created_at": "2022-09-04T14:40:29.756453Z",
            "structure_string": "Ce1 Ni2 P2\n1.0\n-1.970975 1.970975 4.738258\n1.970975 -1.970975 4.738258\n1.970975 1.970975 -4.738258\nCe Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.374644 0.374644 0.000000 P\n0.625356 0.625356 0.000000 P\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Ce",
                "Ni",
                "P"
            ],
            "chemical_system": "Ce-Ni-P",
            "density": 7.204627030803131,
            "density_atomic": 0.06790927236278375,
            "volume": 73.62764797845404,
            "volume_molar": 8.867921199079595,
            "formula_full": "Ce1 Ni2 P2",
            "formula_reduced": "Ce(NiP)2",
            "formula_anonymous": "AB2C2",
            "energy": -33.36801106,
            "energy_per_atom": -6.6736022120000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.36801106,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0345626,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:59.350000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1018162",
            "created_at": "2022-09-04T14:40:29.757951Z",
            "structure_string": "Ce1 Bi1 Pt1\n1.0\n0.000000 3.437159 3.437159\n3.437159 0.000000 3.437159\n3.437159 3.437159 0.000000\nCe Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pt\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Ce",
                "Bi",
                "Pt"
            ],
            "chemical_system": "Bi-Ce-Pt",
            "density": 11.126616749839402,
            "density_atomic": 0.03693961723351068,
            "volume": 81.21361899977882,
            "volume_molar": 16.30266150818928,
            "formula_full": "Ce1 Bi1 Pt1",
            "formula_reduced": "CeBiPt",
            "formula_anonymous": "ABC",
            "energy": -18.69573019,
            "energy_per_atom": -6.231910063333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.69573019,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9894532,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:59.722000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-560833",
            "created_at": "2022-09-04T14:40:29.764612Z",
            "structure_string": "B12 Pb24 Cl4 O40\n1.0\n7.189931 0.000000 0.000000\n0.000000 11.266388 0.000000\n0.000000 0.000000 17.509180\nB Pb Cl O\n12 24 4 40\ndirect\n0.277822 0.497372 0.996214 B\n0.722178 0.502628 0.003786 B\n0.722178 0.497372 0.496214 B\n0.295901 0.250000 0.724890 B\n0.722178 0.997372 0.003786 B\n0.277822 0.997372 0.503786 B\n0.722178 0.002628 0.496214 B\n0.704099 0.750000 0.275110 B\n0.295901 0.750000 0.775110 B\n0.277822 0.502628 0.503786 B\n0.704099 0.250000 0.224890 B\n0.277822 0.002628 0.996214 B\n0.972132 0.917529 0.160549 Pb\n0.027868 0.917529 0.660549 Pb\n0.972132 0.082471 0.339451 Pb\n0.527088 0.566625 0.844928 Pb\n0.972132 0.582471 0.160549 Pb\n0.472912 0.066625 0.155072 Pb\n0.924637 0.250000 0.027297 Pb\n0.590230 0.250000 0.438865 Pb\n0.075363 0.250000 0.527297 Pb\n0.590230 0.750000 0.061135 Pb\n0.027868 0.417529 0.839451 Pb\n0.924637 0.750000 0.472703 Pb\n0.527088 0.433375 0.655072 Pb\n0.409770 0.750000 0.561135 Pb\n0.972132 0.417529 0.339451 Pb\n0.472912 0.433375 0.155072 Pb\n0.527088 0.066625 0.655072 Pb\n0.409770 0.250000 0.938865 Pb\n0.027868 0.582471 0.660549 Pb\n0.075363 0.750000 0.972703 Pb\n0.472912 0.566625 0.344928 Pb\n0.472912 0.933375 0.344928 Pb\n0.527088 0.933375 0.844928 Pb\n0.027868 0.082471 0.839451 Pb\n0.800389 0.750000 0.763168 Cl\n0.199611 0.250000 0.236832 Cl\n0.199611 0.750000 0.263168 Cl\n0.800389 0.250000 0.736832 Cl\n0.666189 0.393776 0.533693 O\n0.912260 0.750000 0.090026 O\n0.274543 0.505833 0.583910 O\n0.087740 0.250000 0.909974 O\n0.265429 0.359606 0.756660 O\n0.265429 0.140394 0.756660 O\n0.666189 0.893776 0.966307 O\n0.772122 0.902880 0.536566 O\n0.274543 0.005833 0.916090 O\n0.614580 0.250000 0.151424 O\n0.265429 0.859606 0.743340 O\n0.385420 0.250000 0.651424 O\n0.227878 0.097120 0.463434 O\n0.333811 0.393776 0.033693 O\n0.227878 0.902880 0.036566 O\n0.227878 0.402880 0.463434 O\n0.274543 0.494167 0.916090 O\n0.666189 0.606224 0.966307 O\n0.274543 0.994167 0.583910 O\n0.087740 0.750000 0.590026 O\n0.734571 0.140394 0.256660 O\n0.772122 0.597120 0.536566 O\n0.772122 0.402880 0.963434 O\n0.385420 0.750000 0.848576 O\n0.333811 0.893776 0.466307 O\n0.772122 0.097120 0.963434 O\n0.725457 0.994167 0.083910 O\n0.734571 0.859606 0.243340 O\n0.725457 0.005833 0.416090 O\n0.912260 0.250000 0.409974 O\n0.725457 0.494167 0.416090 O\n0.614580 0.750000 0.348576 O\n0.725457 0.505833 0.083910 O\n0.333811 0.606224 0.466307 O\n0.333811 0.106224 0.033693 O\n0.734571 0.640394 0.243340 O\n0.265429 0.640394 0.743340 O\n0.734571 0.359606 0.256660 O\n0.227878 0.597120 0.036566 O\n0.666189 0.106224 0.533693 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "B",
                "Pb",
                "Cl",
                "O"
            ],
            "chemical_system": "B-Cl-O-Pb",
            "density": 6.889221466591836,
            "density_atomic": 0.05640462981342552,
            "volume": 1418.3232877269638,
            "volume_molar": 10.676678102347193,
            "formula_full": "B12 Pb24 Cl4 O40",
            "formula_reduced": "B3Pb6ClO10",
            "formula_anonymous": "AB3C6D10",
            "energy": -539.28529657,
            "energy_per_atom": -6.741066207125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -509.34929657,
            "band_gap": 2.8303000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0011675,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.342000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-26214",
            "created_at": "2022-09-04T14:40:29.766776Z",
            "structure_string": "Fe4 P8 O28\n1.0\n4.166540 4.893744 0.000000\n-4.166540 4.893744 0.000000\n0.000000 4.743520 12.658345\nFe P O\n4 8 28\ndirect\n0.590595 0.121801 0.146561 Fe\n0.121801 0.590595 0.646561 Fe\n0.878199 0.409405 0.353439 Fe\n0.409405 0.878199 0.853439 Fe\n0.588334 0.666746 0.068722 P\n0.333254 0.411666 0.431278 P\n0.251933 0.086245 0.634032 P\n0.913755 0.748067 0.865968 P\n0.086245 0.251933 0.134032 P\n0.748067 0.913755 0.365968 P\n0.666746 0.588334 0.568722 P\n0.411666 0.333254 0.931278 P\n0.637939 0.819092 0.126222 O\n0.553733 0.465614 0.358037 O\n0.576548 0.015796 0.302561 O\n0.087212 0.871723 0.876973 O\n0.384764 0.193986 0.517028 O\n0.534386 0.446267 0.141963 O\n0.128277 0.912788 0.623027 O\n0.228327 0.590583 0.490305 O\n0.015796 0.576548 0.802561 O\n0.409417 0.771673 0.009695 O\n0.102513 0.267882 0.677343 O\n0.806014 0.615236 0.982972 O\n0.180908 0.362061 0.373778 O\n0.267882 0.102513 0.177343 O\n0.732118 0.897487 0.822657 O\n0.819092 0.637939 0.626222 O\n0.193986 0.384764 0.017028 O\n0.897487 0.732118 0.322657 O\n0.590583 0.228327 0.990305 O\n0.984204 0.423452 0.197439 O\n0.771673 0.409417 0.509695 O\n0.871723 0.087212 0.376973 O\n0.465614 0.553733 0.858037 O\n0.615236 0.806014 0.482972 O\n0.912788 0.128277 0.123027 O\n0.423452 0.984204 0.697439 O\n0.446267 0.534386 0.641963 O\n0.362061 0.180908 0.873778 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-O-P",
            "density": 2.9567412490681315,
            "density_atomic": 0.07748832355354944,
            "volume": 516.2068059500269,
            "volume_molar": 7.771675116752671,
            "formula_full": "Fe4 P8 O28",
            "formula_reduced": "FeP2O7",
            "formula_anonymous": "AB2C7",
            "energy": -305.31188811,
            "energy_per_atom": -7.63279720275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -277.05188811,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9987166,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:02.766000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1287673",
            "created_at": "2022-09-04T14:40:29.767566Z",
            "structure_string": "Na6 Co10 O20\n1.0\n1.475314 0.846536 5.577902\n5.795373 -5.084497 0.028100\n8.593596 4.969166 0.083479\nNa Co O\n6 10 20\ndirect\n0.504885 0.796899 0.382639 Na\n0.495086 0.800118 0.879012 Na\n0.497931 0.198252 0.283173 Na\n0.500283 0.198304 0.783127 Na\n0.493228 0.398406 0.486200 Na\n0.495035 0.401712 0.981988 Na\n0.029946 0.797309 0.291330 Co\n0.011898 0.802569 0.797523 Co\n0.995714 0.999012 0.504121 Co\n0.991305 0.597987 0.602849 Co\n0.006495 0.394056 0.403241 Co\n0.996530 0.010302 0.995128 Co\n0.979892 0.599202 0.098802 Co\n0.005722 0.199618 0.197016 Co\n0.007092 0.202220 0.698713 Co\n0.001900 0.401698 0.896028 Co\n0.175934 0.813762 0.092771 O\n0.169023 0.796347 0.601488 O\n0.827916 0.799301 0.500076 O\n0.824521 0.818536 0.986175 O\n0.185215 0.205697 0.990179 O\n0.181133 0.198717 0.501350 O\n0.184281 0.388929 0.212925 O\n0.177884 0.404120 0.696887 O\n0.191180 0.997152 0.318855 O\n0.186630 0.014729 0.804646 O\n0.185978 0.586495 0.411703 O\n0.182992 0.595749 0.904883 O\n0.821588 0.005408 0.195101 O\n0.827474 0.005853 0.696895 O\n0.821643 0.582696 0.309220 O\n0.816647 0.592913 0.795506 O\n0.805054 0.395600 0.092163 O\n0.825789 0.397104 0.596256 O\n0.819036 0.197515 0.411193 O\n0.825135 0.205711 0.892836 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Na",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Na-O",
            "density": 4.311773318597058,
            "density_atomic": 0.08925969589076706,
            "volume": 403.31752915734285,
            "volume_molar": 6.746763698780341,
            "formula_full": "Na6 Co10 O20",
            "formula_reduced": "Na3(CoO2)5",
            "formula_anonymous": "A3B5C10",
            "energy": -229.12441804,
            "energy_per_atom": -6.3645671677777775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -199.00441804,
            "band_gap": 0.3504,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9999632,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.763000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-22974",
            "created_at": "2022-09-04T14:40:29.769993Z",
            "structure_string": "Mo2 Cl8 O2\n1.0\n6.642360 0.000000 0.000000\n-2.391046 7.294228 0.000000\n-0.444720 -2.058662 7.499302\nMo Cl O\n2 8 2\ndirect\n0.070063 0.217562 0.273488 Mo\n0.929937 0.782438 0.726512 Mo\n0.174718 0.090567 0.846882 Cl\n0.323154 0.074450 0.305942 Cl\n0.155788 0.680091 0.882504 Cl\n0.844212 0.319909 0.117496 Cl\n0.345278 0.485446 0.264710 Cl\n0.825282 0.909433 0.153118 Cl\n0.676846 0.925550 0.694058 Cl\n0.654722 0.514554 0.735290 Cl\n0.989135 0.727556 0.517212 O\n0.010865 0.272444 0.482788 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Mo",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Mo-O",
            "density": 2.319342857948678,
            "density_atomic": 0.03302620399200429,
            "volume": 363.34784351556794,
            "volume_molar": 18.234432154110028,
            "formula_full": "Mo2 Cl8 O2",
            "formula_reduced": "MoCl4O",
            "formula_anonymous": "ABC4",
            "energy": -61.73770739,
            "energy_per_atom": -5.144808949166666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.04770739,
            "band_gap": 1.4552,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.5e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:58.855000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1087238",
            "created_at": "2022-09-04T14:40:30.272899Z",
            "structure_string": "Y2 Cu4 Sn4\n1.0\n4.374915 0.000000 0.000000\n0.000000 4.374915 0.000000\n0.000000 0.000000 10.766439\nY Cu Sn\n2 4 4\ndirect\n0.000000 0.500000 0.237415 Y\n0.500000 0.000000 0.762585 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.638819 Cu\n0.500000 0.000000 0.361181 Cu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.869439 Sn\n0.500000 0.000000 0.130561 Sn\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Y",
                "Cu",
                "Sn"
            ],
            "chemical_system": "Cu-Sn-Y",
            "density": 7.307458929835267,
            "density_atomic": 0.048527584752777894,
            "volume": 206.06836402315622,
            "volume_molar": 12.409726943303665,
            "formula_full": "Y2 Cu4 Sn4",
            "formula_reduced": "Y(CuSn)2",
            "formula_anonymous": "AB2C2",
            "energy": -48.78651199,
            "energy_per_atom": -4.878651199,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.78651199,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002482,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:59.962000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-779974",
            "created_at": "2022-09-04T14:40:29.771063Z",
            "structure_string": "Hf16 N16 O8\n1.0\n8.705538 0.000000 0.000000\n-2.896811 8.230073 0.000000\n-2.892198 -4.088196 7.149236\nHf N O\n16 16 8\ndirect\n0.009929 0.497430 0.996261 Hf\n0.748043 0.531801 0.288948 Hf\n0.223943 0.753670 0.473291 Hf\n0.704276 0.742546 0.957953 Hf\n0.254518 0.963039 0.212520 Hf\n0.043092 0.293307 0.257292 Hf\n0.997557 0.005248 0.508425 Hf\n0.491523 0.998186 0.996963 Hf\n0.965315 0.713090 0.740323 Hf\n0.528902 0.793080 0.248934 Hf\n0.511931 0.509602 0.517227 Hf\n0.464131 0.216448 0.757910 Hf\n0.751847 0.032352 0.782652 Hf\n0.282627 0.244849 0.026626 Hf\n0.788667 0.249938 0.531011 Hf\n0.248635 0.464176 0.713080 Hf\n0.033997 0.263850 0.992873 N\n0.549178 0.276290 0.035962 N\n0.268268 0.725217 0.235806 N\n0.468860 0.958269 0.726085 N\n0.013490 0.771013 0.539950 N\n0.458055 0.729560 0.967147 N\n0.270999 0.542099 0.505033 N\n0.984629 0.221130 0.446256 N\n0.224489 0.232487 0.768927 N\n0.760926 0.987986 0.534422 N\n0.530496 0.046486 0.272597 N\n0.739969 0.773443 0.733338 N\n0.515852 0.464170 0.738965 N\n0.223713 0.967164 0.957472 N\n0.722956 0.452136 0.482937 N\n0.043970 0.511571 0.774769 N\n0.948534 0.483557 0.223671 O\n0.961461 0.735738 0.018969 O\n0.771401 0.758643 0.225512 O\n0.237703 0.015863 0.460915 O\n0.262798 0.227693 0.275517 O\n0.729573 0.276615 0.764687 O\n0.774055 0.034961 0.047868 O\n0.489688 0.535295 0.260906 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Hf",
                "N",
                "O"
            ],
            "chemical_system": "Hf-N-O",
            "density": 10.399602090868106,
            "density_atomic": 0.07809101268257299,
            "volume": 512.2228362256405,
            "volume_molar": 7.711695050593086,
            "formula_full": "Hf16 N16 O8",
            "formula_reduced": "Hf2N2O",
            "formula_anonymous": "AB2C2",
            "energy": -433.61030291,
            "energy_per_atom": -10.84025757275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -422.33830291,
            "band_gap": 2.1572000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0007592,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.466000Z",
            "spacegroup": 1
        }
    ]
}