GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=151
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_gap_direct&page=152",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=150",
    "results": [
        {
            "id": "mp-973994",
            "created_at": "2022-09-04T14:44:21.029138Z",
            "structure_string": "Np1 Pa3\n1.0\n-2.162905 2.162905 4.953490\n2.162905 -2.162905 4.953490\n2.162905 2.162905 -4.953490\nNp Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Pa\n0.250000 0.750000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Np",
                "Pa"
            ],
            "chemical_system": "Np-Pa",
            "density": 16.662345599706512,
            "density_atomic": 0.04315328089461802,
            "volume": 92.6928362589198,
            "volume_molar": 13.955232684871172,
            "formula_full": "Np1 Pa3",
            "formula_reduced": "NpPa3",
            "formula_anonymous": "AB3",
            "energy": -40.29606126,
            "energy_per_atom": -10.074015315,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.29606126,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0964307,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:38.871000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-30407",
            "created_at": "2022-09-04T14:44:20.998586Z",
            "structure_string": "Mg26 Au82\n1.0\n7.617043 -13.193106 0.000000\n7.617043 13.193106 0.000000\n0.000000 0.000000 9.621610\nMg Au\n26 82\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.445354 0.000000 0.250000 Mg\n0.445354 0.445354 0.750000 Mg\n0.000000 0.554646 0.750000 Mg\n0.000000 0.445354 0.250000 Mg\n0.554646 0.554646 0.250000 Mg\n0.554646 0.000000 0.750000 Mg\n0.775863 0.000000 0.250000 Mg\n0.775863 0.775863 0.750000 Mg\n0.000000 0.224137 0.750000 Mg\n0.000000 0.775863 0.250000 Mg\n0.224137 0.224137 0.250000 Mg\n0.224137 0.000000 0.750000 Mg\n0.223150 0.446300 0.000000 Mg\n0.776850 0.223150 0.500000 Mg\n0.446300 0.223150 0.500000 Mg\n0.553700 0.776850 0.000000 Mg\n0.223150 0.776850 0.000000 Mg\n0.776850 0.553700 0.500000 Mg\n0.776850 0.553700 0.000000 Mg\n0.223150 0.776850 0.500000 Mg\n0.553700 0.776850 0.500000 Mg\n0.446300 0.223150 0.000000 Mg\n0.776850 0.223150 0.000000 Mg\n0.223150 0.446300 0.500000 Mg\n0.333333 0.666667 0.000000 Au\n0.666667 0.333333 0.500000 Au\n0.666667 0.333333 0.000000 Au\n0.333333 0.666667 0.500000 Au\n0.109630 0.000000 0.250000 Au\n0.109630 0.109630 0.750000 Au\n0.000000 0.890370 0.750000 Au\n0.000000 0.109630 0.250000 Au\n0.890370 0.890370 0.250000 Au\n0.890370 0.000000 0.750000 Au\n0.110795 0.221590 0.000000 Au\n0.889205 0.110795 0.500000 Au\n0.221590 0.110795 0.500000 Au\n0.778410 0.889205 0.000000 Au\n0.110795 0.889205 0.000000 Au\n0.889205 0.778410 0.500000 Au\n0.889205 0.778410 0.000000 Au\n0.110795 0.889205 0.500000 Au\n0.778410 0.889205 0.500000 Au\n0.221590 0.110795 0.000000 Au\n0.889205 0.110795 0.000000 Au\n0.110795 0.221590 0.500000 Au\n0.444989 0.889978 0.000000 Au\n0.555011 0.444989 0.500000 Au\n0.889978 0.444989 0.500000 Au\n0.110022 0.555011 0.000000 Au\n0.444989 0.555011 0.000000 Au\n0.555011 0.110022 0.500000 Au\n0.555011 0.110022 0.000000 Au\n0.444989 0.555011 0.500000 Au\n0.110022 0.555011 0.500000 Au\n0.889978 0.444989 0.000000 Au\n0.555011 0.444989 0.000000 Au\n0.444989 0.889978 0.500000 Au\n0.220933 0.551479 0.250000 Au\n0.669454 0.220933 0.750000 Au\n0.551479 0.330546 0.750000 Au\n0.448521 0.669454 0.250000 Au\n0.330546 0.779067 0.250000 Au\n0.669454 0.448521 0.250000 Au\n0.779067 0.330546 0.250000 Au\n0.779067 0.448521 0.750000 Au\n0.551479 0.220933 0.250000 Au\n0.448521 0.779067 0.750000 Au\n0.330546 0.551479 0.750000 Au\n0.220933 0.669454 0.750000 Au\n0.110486 0.666351 0.250000 Au\n0.444135 0.110486 0.750000 Au\n0.666351 0.555865 0.750000 Au\n0.333649 0.444135 0.250000 Au\n0.555865 0.889514 0.250000 Au\n0.444135 0.333649 0.250000 Au\n0.889514 0.555865 0.250000 Au\n0.889514 0.333649 0.750000 Au\n0.666351 0.110486 0.250000 Au\n0.333649 0.889514 0.750000 Au\n0.555865 0.666351 0.750000 Au\n0.110486 0.444135 0.750000 Au\n0.111768 0.332793 0.250000 Au\n0.778974 0.111768 0.750000 Au\n0.332793 0.221026 0.750000 Au\n0.667207 0.778974 0.250000 Au\n0.221026 0.888232 0.250000 Au\n0.778974 0.667207 0.250000 Au\n0.888232 0.221026 0.250000 Au\n0.888232 0.667207 0.750000 Au\n0.332793 0.111768 0.250000 Au\n0.667207 0.888232 0.750000 Au\n0.221026 0.332793 0.750000 Au\n0.111768 0.778974 0.750000 Au\n0.331950 0.000000 0.000895 Au\n0.331950 0.331950 0.500895 Au\n0.000000 0.668050 0.500895 Au\n0.000000 0.331950 0.000895 Au\n0.668050 0.668050 0.000895 Au\n0.331950 0.000000 0.499105 Au\n0.668050 0.668050 0.499105 Au\n0.668050 0.000000 0.500895 Au\n0.000000 0.331950 0.499105 Au\n0.000000 0.668050 0.999105 Au\n0.668050 0.000000 0.999105 Au\n0.331950 0.331950 0.999105 Au\n",
            "nsites": 108,
            "nelements": 2,
            "elements": [
                "Mg",
                "Au"
            ],
            "chemical_system": "Au-Mg",
            "density": 14.411605649375447,
            "density_atomic": 0.05584863351322395,
            "volume": 1933.798433482308,
            "volume_molar": 10.782968859164775,
            "formula_full": "Mg26 Au82",
            "formula_reduced": "Mg13Au41",
            "formula_anonymous": "A13B41",
            "energy": -349.92437521,
            "energy_per_atom": -3.240040511203704,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -349.92437521,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0092004,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:43.583000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-1101882",
            "created_at": "2022-09-04T14:44:20.999098Z",
            "structure_string": "Nd3 Ir9\n1.0\n8.982272 -2.690877 0.000000\n8.982272 2.690877 0.000000\n8.176149 0.000000 4.590493\nNd Ir\n3 9\ndirect\n0.860570 0.860570 0.860570 Nd\n0.139430 0.139430 0.139430 Nd\n0.000000 0.000000 0.000000 Nd\n0.420809 0.916758 0.420809 Ir\n0.420809 0.420809 0.916758 Ir\n0.916758 0.420809 0.420809 Ir\n0.579191 0.083242 0.579191 Ir\n0.579191 0.579191 0.083242 Ir\n0.083242 0.579191 0.579191 Ir\n0.667751 0.667751 0.667751 Ir\n0.332249 0.332249 0.332249 Ir\n0.500000 0.500000 0.500000 Ir\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Nd",
                "Ir"
            ],
            "chemical_system": "Ir-Nd",
            "density": 16.18347520342774,
            "density_atomic": 0.05407691055104782,
            "volume": 221.9061680432386,
            "volume_molar": 11.136251495571639,
            "formula_full": "Nd3 Ir9",
            "formula_reduced": "NdIr3",
            "formula_anonymous": "AB3",
            "energy": -100.16942759,
            "energy_per_atom": -8.347452299166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.16942759,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024408,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:30.056000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1026456",
            "created_at": "2022-09-04T14:44:21.003178Z",
            "structure_string": "Mg14 Bi1 W1\n1.0\n6.303877 -0.028229 0.000000\n-3.176386 5.501661 0.000000\n0.000000 0.000000 10.194423\nMg Bi W\n14 1 1\ndirect\n0.166059 0.333029 0.625000 Mg\n0.168713 0.834356 0.625000 Mg\n0.668077 0.333293 0.125000 Mg\n0.666684 0.331168 0.625000 Mg\n0.668077 0.834783 0.125000 Mg\n0.666684 0.835515 0.625000 Mg\n0.330357 0.176091 0.370855 Mg\n0.330357 0.176091 0.879145 Mg\n0.330357 0.654267 0.370855 Mg\n0.330357 0.654267 0.879145 Mg\n0.844266 0.172134 0.367607 Mg\n0.844266 0.172134 0.882393 Mg\n0.828419 0.664210 0.381657 Mg\n0.828419 0.664210 0.868343 Mg\n0.158714 0.829357 0.125000 Bi\n0.170191 0.335095 0.125000 W\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Mg",
                "Bi",
                "W"
            ],
            "chemical_system": "Bi-Mg-W",
            "density": 3.451967515096797,
            "density_atomic": 0.04537117775825585,
            "volume": 352.64678570281546,
            "volume_molar": 13.273053637899437,
            "formula_full": "Mg14 Bi1 W1",
            "formula_reduced": "Mg14BiW",
            "formula_anonymous": "ABC14",
            "energy": -36.83429557,
            "energy_per_atom": -2.302143473125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.83429557,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9350788,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:33.282000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-572871",
            "created_at": "2022-09-04T14:44:21.006115Z",
            "structure_string": "V6 Co3 O18\n1.0\n4.874050 0.000000 0.000000\n-0.537525 7.273615 0.000000\n-0.005541 -1.888602 8.774508\nV Co O\n6 3 18\ndirect\n0.453388 0.712379 0.608272 V\n0.883519 0.418754 0.736546 V\n0.456005 0.711696 0.967333 V\n0.543995 0.288304 0.032667 V\n0.116481 0.581246 0.263454 V\n0.546612 0.287621 0.391728 V\n0.007846 0.012387 0.166338 Co\n0.000000 0.000000 0.500000 Co\n0.992154 0.987613 0.833662 Co\n0.827711 0.153562 0.018800 O\n0.826572 0.150696 0.359026 O\n0.339329 0.166904 0.489054 O\n0.104284 0.821153 0.301053 O\n0.363185 0.212775 0.200214 O\n0.297298 0.527477 0.422383 O\n0.636815 0.787225 0.799786 O\n0.172289 0.846438 0.981200 O\n0.702702 0.472523 0.577617 O\n0.702815 0.475626 0.913905 O\n0.173428 0.849304 0.640974 O\n0.297185 0.524374 0.086095 O\n0.791105 0.470508 0.245967 O\n0.660036 0.830676 0.107061 O\n0.660671 0.833096 0.510946 O\n0.208895 0.529492 0.754033 O\n0.895716 0.178847 0.698947 O\n0.339964 0.169324 0.892939 O\n",
            "nsites": 27,
            "nelements": 3,
            "elements": [
                "V",
                "Co",
                "O"
            ],
            "chemical_system": "Co-O-V",
            "density": 4.11266757838098,
            "density_atomic": 0.0867961976638716,
            "volume": 311.0735346329415,
            "volume_molar": 6.938254119519662,
            "formula_full": "V6 Co3 O18",
            "formula_reduced": "V2CoO6",
            "formula_anonymous": "AB2C6",
            "energy": -221.70266545,
            "energy_per_atom": -8.211209831481481,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -194.22266545,
            "band_gap": 1.3839,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.9998781,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:39.052000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-973625",
            "created_at": "2022-09-04T14:44:21.007581Z",
            "structure_string": "Lu2 Al1 Tc1\n1.0\n0.000000 3.444757 3.444757\n3.444757 0.000000 3.444757\n3.444757 3.444757 0.000000\nLu Al Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tc\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Lu",
                "Al",
                "Tc"
            ],
            "chemical_system": "Al-Lu-Tc",
            "density": 9.646276518211073,
            "density_atomic": 0.048927634748588425,
            "volume": 81.75338989006414,
            "volume_molar": 12.30826053812818,
            "formula_full": "Lu2 Al1 Tc1",
            "formula_reduced": "Lu2AlTc",
            "formula_anonymous": "ABC2",
            "energy": -24.11218727,
            "energy_per_atom": -6.0280468175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -24.11218727,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.6e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:28.702000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1191796",
            "created_at": "2022-09-04T14:44:21.010982Z",
            "structure_string": "Sm6 Be2 Cr2 S14\n1.0\n4.897794 -8.483228 0.000000\n4.897794 8.483228 0.000000\n0.000000 0.000000 5.996865\nSm Be Cr S\n6 2 2 14\ndirect\n0.248189 0.390715 0.257002 Sm\n0.609285 0.857474 0.257002 Sm\n0.142526 0.751811 0.257002 Sm\n0.751811 0.609285 0.757002 Sm\n0.390715 0.142526 0.757002 Sm\n0.857474 0.248189 0.757002 Sm\n0.333333 0.666667 0.839661 Be\n0.666667 0.333333 0.339661 Be\n0.000000 0.000000 0.479308 Cr\n0.000000 0.000000 0.979308 Cr\n0.141934 0.223077 0.721321 S\n0.776923 0.918857 0.721321 S\n0.081143 0.858066 0.721321 S\n0.858066 0.776923 0.221321 S\n0.223077 0.081143 0.221321 S\n0.918857 0.141934 0.221321 S\n0.106661 0.519600 0.974357 S\n0.480400 0.587061 0.974357 S\n0.412939 0.893339 0.974357 S\n0.893339 0.480400 0.474357 S\n0.519600 0.412939 0.474357 S\n0.587061 0.106661 0.474357 S\n0.333333 0.666667 0.490962 S\n0.666667 0.333333 0.990962 S\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Sm",
                "Be",
                "Cr",
                "S"
            ],
            "chemical_system": "Be-Cr-S-Sm",
            "density": 4.908642955502202,
            "density_atomic": 0.048160980435904104,
            "volume": 498.32872551132607,
            "volume_molar": 12.504190540752537,
            "formula_full": "Sm6 Be2 Cr2 S14",
            "formula_reduced": "Sm3BeCrS7",
            "formula_anonymous": "ABC3D7",
            "energy": -157.90318929,
            "energy_per_atom": -6.57929955375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -150.86118929,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0007663,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:30.431000Z",
            "spacegroup": 173
        },
        {
            "id": "mp-1191722",
            "created_at": "2022-09-04T14:44:21.030538Z",
            "structure_string": "Ho6 Ga4 Ni12\n1.0\n-4.429878 4.429878 4.429878\n4.429878 -4.429878 4.429878\n4.429878 4.429878 -4.429878\nHo Ga Ni\n6 4 12\ndirect\n0.709771 0.709771 0.000000 Ho\n0.290229 0.000000 0.290229 Ho\n0.000000 0.290229 0.290229 Ho\n0.290229 0.290229 0.000000 Ho\n0.709771 0.000000 0.709771 Ho\n0.000000 0.709771 0.709771 Ho\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.339052 0.339052 0.678105 Ni\n0.660948 0.000000 0.339052 Ni\n0.000000 0.660948 0.339052 Ni\n0.660948 0.339052 0.000000 Ni\n0.339052 0.678105 0.339052 Ni\n0.000000 0.339052 0.660948 Ni\n0.339052 0.660948 0.000000 Ni\n0.339052 0.000000 0.660948 Ni\n0.678105 0.339052 0.339052 Ni\n0.660948 0.660948 0.321895 Ni\n0.660948 0.321895 0.660948 Ni\n0.321895 0.660948 0.660948 Ni\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Ho",
                "Ga",
                "Ni"
            ],
            "chemical_system": "Ga-Ho-Ni",
            "density": 9.420971839406693,
            "density_atomic": 0.06326847872520702,
            "volume": 347.72449793762627,
            "volume_molar": 9.518390328548705,
            "formula_full": "Ho6 Ga4 Ni12",
            "formula_reduced": "Ho3(GaNi3)2",
            "formula_anonymous": "A2B3C6",
            "energy": -121.39829147,
            "energy_per_atom": -5.518104157727273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -121.39829147,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1679301,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:31.344000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-1208077",
            "created_at": "2022-09-04T14:44:21.061455Z",
            "structure_string": "Tm6 Cu22 Si8\n1.0\n-4.165961 -7.215655 0.000000\n-4.165961 7.215655 0.000000\n0.000000 0.000000 -8.510960\nTm Cu Si\n6 22 8\ndirect\n0.801611 0.198389 0.750000 Tm\n0.198389 0.801611 0.250000 Tm\n0.396778 0.198389 0.750000 Tm\n0.603222 0.801611 0.250000 Tm\n0.801611 0.603222 0.750000 Tm\n0.198389 0.396778 0.250000 Tm\n0.848105 0.151895 0.409935 Cu\n0.151895 0.848105 0.590065 Cu\n0.303789 0.151895 0.409935 Cu\n0.151895 0.848105 0.909935 Cu\n0.696211 0.848105 0.590065 Cu\n0.848105 0.151895 0.090065 Cu\n0.848105 0.696211 0.409935 Cu\n0.696211 0.848105 0.909935 Cu\n0.151895 0.303789 0.590065 Cu\n0.303789 0.151895 0.090065 Cu\n0.151895 0.303789 0.909935 Cu\n0.848105 0.696211 0.090065 Cu\n0.435082 0.564918 0.750000 Cu\n0.564918 0.435082 0.250000 Cu\n0.129836 0.564918 0.750000 Cu\n0.870164 0.435082 0.250000 Cu\n0.435082 0.870164 0.750000 Cu\n0.564918 0.129836 0.250000 Cu\n0.666667 0.333333 0.004932 Cu\n0.333333 0.666667 0.995068 Cu\n0.333333 0.666667 0.504932 Cu\n0.666667 0.333333 0.495068 Cu\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Tm",
                "Cu",
                "Si"
            ],
            "chemical_system": "Cu-Si-Tm",
            "density": 8.555484905815234,
            "density_atomic": 0.07035630055665448,
            "volume": 511.68125264077753,
            "volume_molar": 8.559490354599678,
            "formula_full": "Tm6 Cu22 Si8",
            "formula_reduced": "Tm3Cu11Si4",
            "formula_anonymous": "A3B4C11",
            "energy": -171.85392865999998,
            "energy_per_atom": -4.773720240555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.42192866,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001446,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:26.903000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-754367",
            "created_at": "2022-09-04T14:44:21.063004Z",
            "structure_string": "Li4 Nb3 Fe3 Ni2 O16\n1.0\n3.052138 5.281819 0.000000\n-3.052138 5.281819 0.000000\n0.000000 0.060752 9.815641\nLi Nb Fe Ni O\n4 3 3 2 16\ndirect\n0.331258 0.331258 0.099644 Li\n0.993500 0.993500 0.993590 Li\n0.987723 0.987723 0.508821 Li\n0.663595 0.663595 0.624919 Li\n0.170661 0.170661 0.785455 Nb\n0.832896 0.338555 0.286032 Nb\n0.338555 0.832896 0.286032 Nb\n0.661574 0.170135 0.784276 Fe\n0.170135 0.661574 0.784276 Fe\n0.832708 0.832708 0.282970 Fe\n0.340250 0.340250 0.524553 Ni\n0.673806 0.673806 0.988121 Ni\n0.686496 0.160043 0.392627 O\n0.481355 0.481355 0.666014 O\n0.329881 0.329881 0.899791 O\n0.002895 0.002895 0.687515 O\n0.004143 0.004143 0.179671 O\n0.160043 0.686496 0.392627 O\n0.476899 0.035427 0.661639 O\n0.035427 0.476899 0.661639 O\n0.841919 0.841919 0.893913 O\n0.157424 0.157424 0.396250 O\n0.964605 0.514412 0.171088 O\n0.514412 0.964605 0.171088 O\n0.661089 0.661089 0.400186 O\n0.847225 0.324137 0.898293 O\n0.514350 0.514350 0.172811 O\n0.324137 0.847225 0.898293 O\n",
            "nsites": 28,
            "nelements": 5,
            "elements": [
                "Li",
                "Nb",
                "Fe",
                "Ni",
                "O"
            ],
            "chemical_system": "Fe-Li-Nb-Ni-O",
            "density": 4.4463006622690555,
            "density_atomic": 0.08847522773067475,
            "volume": 316.4727655206959,
            "volume_molar": 6.806584073828947,
            "formula_full": "Li4 Nb3 Fe3 Ni2 O16",
            "formula_reduced": "Li4Nb3Fe3(NiO8)2",
            "formula_anonymous": "A2B3C3D4E16",
            "energy": -215.79882133,
            "energy_per_atom": -7.707100761785715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -192.95682133,
            "band_gap": 0.5108000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.0001136,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:31.163000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-27971",
            "created_at": "2022-09-04T14:44:21.073295Z",
            "structure_string": "Ac2 Cl6\n1.0\n3.877093 -6.715323 0.000000\n3.877093 6.715323 0.000000\n0.000000 0.000000 4.565209\nAc Cl\n2 6\ndirect\n0.666667 0.333333 0.750000 Ac\n0.333333 0.666667 0.250000 Ac\n0.607953 0.694551 0.750000 Cl\n0.913403 0.607953 0.250000 Cl\n0.392047 0.305449 0.250000 Cl\n0.086597 0.392047 0.750000 Cl\n0.305449 0.913403 0.750000 Cl\n0.694551 0.086597 0.250000 Cl\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Ac",
                "Cl"
            ],
            "chemical_system": "Ac-Cl",
            "density": 4.657227917672675,
            "density_atomic": 0.033653187202168,
            "volume": 237.7189403173268,
            "volume_molar": 17.89471149886226,
            "formula_full": "Ac2 Cl6",
            "formula_reduced": "AcCl3",
            "formula_anonymous": "AB3",
            "energy": -42.85875942,
            "energy_per_atom": -5.3573449275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.17475942,
            "band_gap": 5.0865,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000363,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:31.603000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-1096729",
            "created_at": "2022-09-04T14:44:21.076822Z",
            "structure_string": "Ti2 Co1 Rh1\n1.0\n-7.614283 0.000000 -4.396108\n-7.827763 -0.077435 4.765867\n-5.110845 7.607168 0.060027\nTi Co Rh\n2 1 1\ndirect\n0.755397 0.000000 0.000000 Ti\n0.244603 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Rh\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ti",
                "Co",
                "Rh"
            ],
            "chemical_system": "Co-Rh-Ti",
            "density": 0.7926349957587657,
            "density_atomic": 0.007412834683289487,
            "volume": 539.6046412605249,
            "volume_molar": 81.23937761050462,
            "formula_full": "Ti2 Co1 Rh1",
            "formula_reduced": "Ti2CoRh",
            "formula_anonymous": "ABC2",
            "energy": -19.46969994,
            "energy_per_atom": -4.867424985,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.46969994,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0000088,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:35.279000Z",
            "spacegroup": 71
        }
    ]
}