GET /third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=10163
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_magnetic&page=10164",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=10162",
    "results": [
        {
            "id": "mp-1224789",
            "created_at": "2022-09-04T14:41:06.721722Z",
            "structure_string": "Ga2 As1 P1\n1.0\n6.585316 -1.987866 0.000000\n6.585316 1.987866 0.000000\n5.985252 0.000000 3.390392\nGa As P\n2 1 1\ndirect\n0.997592 0.997592 0.997592 Ga\n0.502452 0.502452 0.502452 Ga\n0.125022 0.125022 0.125022 As\n0.624934 0.624934 0.624934 P\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ga",
                "As",
                "P"
            ],
            "chemical_system": "As-Ga-P",
            "density": 4.589614762079917,
            "density_atomic": 0.04506261140096014,
            "volume": 88.76538388795578,
            "volume_molar": 13.363940909717645,
            "formula_full": "Ga2 As1 P1",
            "formula_reduced": "Ga2AsP",
            "formula_anonymous": "ABC2",
            "energy": -17.58755857,
            "energy_per_atom": -4.3968896425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -17.58755857,
            "band_gap": 0.7805,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0010383,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:13.661000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1218973",
            "created_at": "2022-09-04T14:41:07.431987Z",
            "structure_string": "Sm1 Zn1 Ag1 As2\n1.0\n2.149234 -3.722582 0.000000\n2.149234 3.722582 0.000000\n0.000000 0.000000 6.924138\nSm Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.985242 Sm\n0.666667 0.333333 0.375096 Zn\n0.333333 0.666667 0.636369 Ag\n0.333333 0.666667 0.244362 As\n0.666667 0.333333 0.758931 As\n",
            "nsites": 5,
            "nelements": 4,
            "elements": [
                "Sm",
                "Zn",
                "Ag",
                "As"
            ],
            "chemical_system": "Ag-As-Sm-Zn",
            "density": 7.096225656215846,
            "density_atomic": 0.04512802407578361,
            "volume": 110.79589905384483,
            "volume_molar": 13.34456999466009,
            "formula_full": "Sm1 Zn1 Ag1 As2",
            "formula_reduced": "SmZnAgAs2",
            "formula_anonymous": "ABCD2",
            "energy": -21.28352869,
            "energy_per_atom": -4.256705738,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.28352869,
            "band_gap": 0.1562000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 7.2e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.999000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-11490",
            "created_at": "2022-09-04T14:41:07.434562Z",
            "structure_string": "Li2 Zn1 Sn1\n1.0\n0.000000 3.253194 3.253194\n3.253194 0.000000 3.253194\n3.253194 3.253194 0.000000\nLi Zn Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Li",
                "Zn",
                "Sn"
            ],
            "chemical_system": "Li-Sn-Zn",
            "density": 4.774815527881533,
            "density_atomic": 0.058089830297570776,
            "volume": 68.85886874707006,
            "volume_molar": 10.36694500423052,
            "formula_full": "Li2 Zn1 Sn1",
            "formula_reduced": "Li2ZnSn",
            "formula_anonymous": "ABC2",
            "energy": -10.18232098,
            "energy_per_atom": -2.545580245,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -10.18232098,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005914,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:10.424000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-999124",
            "created_at": "2022-09-04T14:41:28.036314Z",
            "structure_string": "Tb2 Pd2\n1.0\n1.861000 -5.296447 0.000000\n1.861000 5.296447 0.000000\n0.000000 0.000000 4.630288\nTb Pd\n2 2\ndirect\n0.862978 0.137022 0.750000 Tb\n0.137022 0.862978 0.250000 Tb\n0.585572 0.414428 0.750000 Pd\n0.414428 0.585572 0.250000 Pd\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Tb",
                "Pd"
            ],
            "chemical_system": "Pd-Tb",
            "density": 9.654317343600272,
            "density_atomic": 0.04382187817119233,
            "volume": 91.27860710063139,
            "volume_molar": 13.742315508418443,
            "formula_full": "Tb2 Pd2",
            "formula_reduced": "TbPd",
            "formula_anonymous": "AB",
            "energy": -23.27444166,
            "energy_per_atom": -5.818610415,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -23.27444166,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001802,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.744000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-771566",
            "created_at": "2022-09-04T14:41:07.132914Z",
            "structure_string": "Lu8 Te4 O24\n1.0\n5.477635 8.019884 0.000000\n-5.477635 8.019884 0.000000\n0.000000 1.539156 5.079026\nLu Te O\n8 4 24\ndirect\n0.939058 0.717168 0.385337 Lu\n0.717168 0.939058 0.885337 Lu\n0.375424 0.624576 0.250000 Lu\n0.897463 0.102537 0.250000 Lu\n0.102537 0.897463 0.750000 Lu\n0.624576 0.375424 0.750000 Lu\n0.282832 0.060942 0.114663 Lu\n0.060942 0.282832 0.614663 Lu\n0.804980 0.501683 0.066899 Te\n0.501683 0.804980 0.566899 Te\n0.498317 0.195020 0.433101 Te\n0.195020 0.498317 0.933101 Te\n0.893876 0.924846 0.077329 O\n0.924846 0.893876 0.577329 O\n0.529478 0.944926 0.255248 O\n0.785179 0.688459 0.150168 O\n0.944926 0.529478 0.755248 O\n0.688459 0.785179 0.650168 O\n0.820768 0.376783 0.400555 O\n0.376783 0.820768 0.900555 O\n0.609607 0.541635 0.010602 O\n0.312242 0.844938 0.426512 O\n0.541635 0.609607 0.510602 O\n0.844938 0.312242 0.926512 O\n0.155062 0.687758 0.073488 O\n0.458365 0.390393 0.489398 O\n0.687758 0.155062 0.573488 O\n0.390393 0.458365 0.989398 O\n0.623217 0.179232 0.099445 O\n0.179232 0.623217 0.599445 O\n0.311541 0.214821 0.349832 O\n0.055074 0.470522 0.244752 O\n0.214821 0.311541 0.849832 O\n0.470522 0.055074 0.744752 O\n0.075154 0.106124 0.422671 O\n0.106124 0.075154 0.922671 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Lu",
                "Te",
                "O"
            ],
            "chemical_system": "Lu-O-Te",
            "density": 8.536776732960401,
            "density_atomic": 0.08067349878282284,
            "volume": 446.24319687576497,
            "volume_molar": 7.464831513272914,
            "formula_full": "Lu8 Te4 O24",
            "formula_reduced": "Lu2TeO6",
            "formula_anonymous": "AB2C6",
            "energy": -274.86587428,
            "energy_per_atom": -7.635163174444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -258.37787428,
            "band_gap": 1.7053000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0062147,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:25.199000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1026636",
            "created_at": "2022-09-04T14:41:07.140883Z",
            "structure_string": "Na1 Hf1 Mg14\n1.0\n6.470015 0.000000 -0.000000\n-3.235008 5.603197 -0.000000\n0.000000 0.000000 10.214987\nNa Hf Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Na\n0.166667 0.333333 0.625000 Hf\n0.169705 0.834852 0.125000 Mg\n0.172185 0.836092 0.625000 Mg\n0.665148 0.330295 0.125000 Mg\n0.663908 0.327815 0.625000 Mg\n0.665148 0.834852 0.125000 Mg\n0.663908 0.836092 0.625000 Mg\n0.332255 0.167745 0.378987 Mg\n0.332255 0.167745 0.871013 Mg\n0.332255 0.664511 0.378987 Mg\n0.332255 0.664511 0.871013 Mg\n0.835489 0.167745 0.378987 Mg\n0.835489 0.167745 0.871013 Mg\n0.833333 0.666667 0.375735 Mg\n0.833333 0.666667 0.874265 Mg\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Na",
                "Hf",
                "Mg"
            ],
            "chemical_system": "Hf-Mg-Na",
            "density": 2.429231112979221,
            "density_atomic": 0.04320569395108128,
            "volume": 370.3215603507181,
            "volume_molar": 13.938303518092871,
            "formula_full": "Na1 Hf1 Mg14",
            "formula_reduced": "NaHfMg14",
            "formula_anonymous": "ABC14",
            "energy": -32.48253975,
            "energy_per_atom": -2.030158734375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.48253975,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0065524,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.675000Z",
            "spacegroup": 187
        },
        {
            "id": "mp-1223362",
            "created_at": "2022-09-04T14:41:07.156785Z",
            "structure_string": "La7 Ta3 W4 O30\n1.0\n6.951176 0.000000 0.000000\n-2.253642 9.986443 0.000000\n-2.350231 -4.982879 8.636988\nLa Ta W O\n7 3 4 30\ndirect\n0.636463 0.759882 0.191756 La\n0.877093 0.434904 0.234257 La\n0.449355 0.813625 0.567123 La\n0.363537 0.240118 0.808244 La\n0.122907 0.565096 0.765743 La\n0.550645 0.186375 0.432877 La\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.000000 Ta\n0.852297 0.213906 0.829601 Ta\n0.147703 0.786094 0.170399 Ta\n0.640769 0.621092 0.787966 W\n0.017658 0.165931 0.377170 W\n0.359231 0.378908 0.212034 W\n0.982343 0.834069 0.622830 W\n0.068491 0.280588 0.057445 O\n0.784159 0.772790 0.718516 O\n0.009122 0.949096 0.224951 O\n0.931509 0.719412 0.942555 O\n0.215841 0.227210 0.281484 O\n0.990878 0.050904 0.775049 O\n0.736048 0.344248 0.957327 O\n0.396805 0.611698 0.655944 O\n0.788375 0.045595 0.391798 O\n0.263952 0.655752 0.042673 O\n0.603195 0.388302 0.344056 O\n0.211625 0.954405 0.608202 O\n0.056285 0.335492 0.792295 O\n0.712848 0.461035 0.663915 O\n0.250906 0.202904 0.537022 O\n0.943715 0.664508 0.207705 O\n0.287152 0.538965 0.336085 O\n0.749094 0.797096 0.462978 O\n0.614532 0.134796 0.649382 O\n0.492232 0.518188 0.865561 O\n0.970678 0.346640 0.480317 O\n0.385468 0.865204 0.350618 O\n0.507768 0.481812 0.134439 O\n0.029322 0.653360 0.519683 O\n0.784509 0.138004 0.174882 O\n0.638321 0.032113 0.859121 O\n0.607361 0.823174 0.962928 O\n0.215491 0.861996 0.825118 O\n0.361679 0.967887 0.140879 O\n0.392639 0.176826 0.037072 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "La",
                "Ta",
                "W",
                "O"
            ],
            "chemical_system": "La-O-Ta-W",
            "density": 7.562469846137401,
            "density_atomic": 0.07338735715043045,
            "volume": 599.5583123372078,
            "volume_molar": 8.205964888006157,
            "formula_full": "La7 Ta3 W4 O30",
            "formula_reduced": "La7Ta3(W2O15)2",
            "formula_anonymous": "A3B4C7D30",
            "energy": -414.26273814,
            "energy_per_atom": -9.415062230454545,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -375.90073814,
            "band_gap": 3.5412000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.8e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.164000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-2117",
            "created_at": "2022-09-04T14:41:28.093328Z",
            "structure_string": "Tb1 N1\n1.0\n0.000000 2.473606 2.473606\n2.473606 0.000000 2.473606\n2.473606 2.473606 0.000000\nTb N\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 N\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Tb",
                "N"
            ],
            "chemical_system": "N-Tb",
            "density": 9.48643454710855,
            "density_atomic": 0.06607062620602368,
            "volume": 30.270637874136867,
            "volume_molar": 9.114702108651969,
            "formula_full": "Tb1 N1",
            "formula_reduced": "TbN",
            "formula_anonymous": "AB",
            "energy": -16.64254123,
            "energy_per_atom": -8.321270615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.28154123,
            "band_gap": 0.0133999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005069,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:22.273000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-560476",
            "created_at": "2022-09-04T14:41:07.175923Z",
            "structure_string": "Rb12 Na4 Ti4 O16\n1.0\n6.500552 0.000000 0.000000\n0.000000 10.885388 0.000000\n0.000000 4.240500 10.165184\nRb Na Ti O\n12 4 4 16\ndirect\n0.654515 0.038084 0.330494 Rb\n0.123241 0.320228 0.605541 Rb\n0.384508 0.544234 0.310972 Rb\n0.115492 0.544234 0.810972 Rb\n0.845485 0.038084 0.830494 Rb\n0.615492 0.455766 0.689028 Rb\n0.876759 0.679772 0.394459 Rb\n0.154515 0.961916 0.169506 Rb\n0.623241 0.679772 0.894459 Rb\n0.376759 0.320228 0.105541 Rb\n0.345485 0.961916 0.669506 Rb\n0.884508 0.455766 0.189028 Rb\n0.611931 0.872070 0.108561 Na\n0.388069 0.127930 0.891439 Na\n0.888069 0.872070 0.608561 Na\n0.111931 0.127930 0.391439 Na\n0.364194 0.758676 0.485440 Ti\n0.635806 0.241324 0.514560 Ti\n0.864194 0.241324 0.014560 Ti\n0.135806 0.758676 0.985440 Ti\n0.978910 0.208207 0.177361 O\n0.478910 0.791793 0.322639 O\n0.250509 0.590884 0.045681 O\n0.161655 0.886959 0.461768 O\n0.749491 0.409116 0.954319 O\n0.427897 0.234223 0.401701 O\n0.661655 0.113041 0.038232 O\n0.021090 0.791793 0.822639 O\n0.750509 0.409116 0.454319 O\n0.072103 0.234223 0.901701 O\n0.338345 0.886959 0.961768 O\n0.838345 0.113041 0.538232 O\n0.572103 0.765777 0.598299 O\n0.249491 0.590884 0.545681 O\n0.521090 0.208207 0.677361 O\n0.927897 0.765777 0.098299 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Rb",
                "Na",
                "Ti",
                "O"
            ],
            "chemical_system": "Na-O-Rb-Ti",
            "density": 3.6129559675967484,
            "density_atomic": 0.05004873513360987,
            "volume": 719.2988974425541,
            "volume_molar": 12.032553358088514,
            "formula_full": "Rb12 Na4 Ti4 O16",
            "formula_reduced": "Rb3NaTiO4",
            "formula_anonymous": "ABC3D4",
            "energy": -212.82056148,
            "energy_per_atom": -5.911682263333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -201.82856148,
            "band_gap": 3.2452,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012883,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:10.991000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-545346",
            "created_at": "2022-09-04T14:41:07.186266Z",
            "structure_string": "Li1 Ga1 As2 O7\n1.0\n4.171965 3.374932 0.000000\n-4.171965 3.374932 0.000000\n0.000000 1.159753 4.632473\nLi Ga As O\n1 1 2 7\ndirect\n0.249310 0.750690 0.500000 Li\n0.624694 0.375306 0.500000 Ga\n0.179621 0.252948 0.093895 As\n0.747052 0.820379 0.906105 As\n0.358657 0.142115 0.332442 O\n0.857885 0.641343 0.667558 O\n0.611370 0.054029 0.761403 O\n0.945971 0.388630 0.238597 O\n0.548444 0.662208 0.228103 O\n0.337792 0.451556 0.771897 O\n0.049884 0.950116 0.000000 O\n",
            "nsites": 11,
            "nelements": 4,
            "elements": [
                "Li",
                "Ga",
                "As",
                "O"
            ],
            "chemical_system": "As-Ga-Li-O",
            "density": 4.308866551162501,
            "density_atomic": 0.0843226233910363,
            "volume": 130.4513493251839,
            "volume_molar": 7.141785345165351,
            "formula_full": "Li1 Ga1 As2 O7",
            "formula_reduced": "LiGaAs2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -70.17802995,
            "energy_per_atom": -6.379820904545454,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -65.36902995,
            "band_gap": 2.3654,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001376,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:11.028000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-8231",
            "created_at": "2022-09-04T14:41:07.202168Z",
            "structure_string": "Zr2 S2 O2\n1.0\n3.627323 0.000000 0.000000\n0.000000 3.627323 0.000000\n0.000000 0.000000 6.411939\nZr S O\n2 2 2\ndirect\n0.000000 0.500000 0.802472 Zr\n0.500000 0.000000 0.197528 Zr\n0.500000 0.000000 0.626870 S\n0.000000 0.500000 0.373130 S\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Zr",
                "S",
                "O"
            ],
            "chemical_system": "O-S-Zr",
            "density": 5.4831761931309275,
            "density_atomic": 0.07111961697814008,
            "volume": 84.36490879646063,
            "volume_molar": 8.467622599614135,
            "formula_full": "Zr2 S2 O2",
            "formula_reduced": "ZrSO",
            "formula_anonymous": "ABC",
            "energy": -52.19466504,
            "energy_per_atom": -8.69911084,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.81466504,
            "band_gap": 0.7956000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 7.78e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:09.980000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-776408",
            "created_at": "2022-09-04T14:41:07.190405Z",
            "structure_string": "Y4 Nb8 N4 O20\n1.0\n5.283431 0.000000 0.000000\n0.020223 5.924128 0.000000\n0.057764 0.046537 14.996503\nY Nb N O\n4 8 4 20\ndirect\n0.252613 0.699589 0.002008 Y\n0.754171 0.295326 0.000274 Y\n0.754969 0.795640 0.498375 Y\n0.249970 0.209939 0.501431 Y\n0.725710 0.828098 0.168570 Nb\n0.219519 0.180651 0.172290 Nb\n0.217775 0.672093 0.338813 Nb\n0.742384 0.313231 0.331533 Nb\n0.269156 0.678070 0.665710 Nb\n0.770138 0.306982 0.672960 Nb\n0.764062 0.824907 0.831593 Nb\n0.285014 0.189801 0.835712 Nb\n0.905673 0.121296 0.244691 N\n0.031956 0.426350 0.400417 N\n0.604152 0.120899 0.756422 N\n0.398662 0.389654 0.918169 N\n0.101749 0.389730 0.085886 O\n0.609760 0.615865 0.083176 O\n0.028667 0.918941 0.095929 O\n0.529893 0.083751 0.097443 O\n0.398082 0.868393 0.239997 O\n0.405603 0.372079 0.254492 O\n0.899891 0.631860 0.253248 O\n0.531006 0.596014 0.399438 O\n0.104369 0.897754 0.418376 O\n0.599616 0.114130 0.418497 O\n0.399103 0.885773 0.581973 O\n0.898973 0.109289 0.582726 O\n0.977235 0.586977 0.596003 O\n0.470457 0.416193 0.599699 O\n0.598652 0.625533 0.742578 O\n0.095366 0.372876 0.741796 O\n0.088292 0.854017 0.752620 O\n0.460172 0.907025 0.901149 O\n0.962206 0.080883 0.898592 O\n0.894982 0.620391 0.917412 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Y",
                "Nb",
                "N",
                "O"
            ],
            "chemical_system": "N-Nb-O-Y",
            "density": 5.217687113107369,
            "density_atomic": 0.07669587886576851,
            "volume": 469.3863677213535,
            "volume_molar": 7.851974381230864,
            "formula_full": "Y4 Nb8 N4 O20",
            "formula_reduced": "YNb2NO5",
            "formula_anonymous": "ABC2D5",
            "energy": -345.33230043000003,
            "energy_per_atom": -9.592563900833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -330.14830043000006,
            "band_gap": 2.177,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.006247,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:13.377000Z",
            "spacegroup": 1
        }
    ]
}