GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=163
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=164",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=162",
    "results": [
        {
            "id": "mp-1236395",
            "created_at": "2022-09-04T14:39:15.755591Z",
            "structure_string": "Li1 Pr1 Nd1 O2\n1.0\n1.769373 1.021548 9.004573\n-1.769373 1.021548 9.004573\n0.000000 -2.043095 9.004573\nLi Pr Nd O\n1 1 1 2\ndirect\n0.404588 0.404588 0.404588 Li\n0.535562 0.535562 0.535562 Pr\n0.978260 0.978260 0.978260 Nd\n0.262798 0.262798 0.262798 O\n0.693792 0.693792 0.693792 O\n",
            "nsites": 5,
            "nelements": 4,
            "elements": [
                "Li",
                "Pr",
                "Nd",
                "O"
            ],
            "chemical_system": "Li-Nd-O-Pr",
            "density": 5.51088801123131,
            "density_atomic": 0.0512009004423011,
            "volume": 97.65453257281206,
            "volume_molar": 11.761786820109583,
            "formula_full": "Li1 Pr1 Nd1 O2",
            "formula_reduced": "LiPrNdO2",
            "formula_anonymous": "ABCD2",
            "energy": -32.779680400000004,
            "energy_per_atom": -6.55593608,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.4056804,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.02e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:43.115000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-1212728",
            "created_at": "2022-09-04T14:39:16.505246Z",
            "structure_string": "P12 N14 Cl2 O38\n1.0\n6.275354 -0.198722 0.025592\n-3.288728 9.431803 -1.853655\n0.502687 0.550546 19.938207\nP N Cl O\n12 14 2 38\ndirect\n0.467967 0.101451 0.649711 P\n0.532033 0.898549 0.350289 P\n0.513443 0.178768 0.427203 P\n0.486557 0.821232 0.572797 P\n0.971534 0.133985 0.145111 P\n0.028466 0.866015 0.854889 P\n0.013253 0.850239 0.095207 P\n0.986747 0.149761 0.904793 P\n0.244459 0.292527 0.037798 P\n0.755541 0.707473 0.962202 P\n0.248495 0.688881 0.442619 P\n0.751505 0.311119 0.557381 P\n0.867897 0.290919 0.746033 N\n0.132103 0.709081 0.253967 N\n0.638406 0.707594 0.155645 N\n0.361594 0.292406 0.844355 N\n0.500000 0.000000 0.000000 N\n0.998019 0.446381 0.091232 N\n0.001981 0.553619 0.908768 N\n0.880574 0.256805 0.353622 N\n0.119426 0.743195 0.646378 N\n0.174216 0.393361 0.599476 N\n0.825784 0.606639 0.400524 N\n0.301392 0.144790 0.227993 N\n0.698608 0.855210 0.772007 N\n0.000000 0.000000 0.500000 N\n0.576246 0.577167 0.203909 Cl\n0.423754 0.422833 0.796091 Cl\n0.145129 0.285243 0.871809 O\n0.854871 0.714757 0.128191 O\n0.574396 0.238398 0.610455 O\n0.425604 0.761602 0.389545 O\n0.219490 0.058285 0.653234 O\n0.780510 0.941715 0.346766 O\n0.253450 0.892705 0.114132 O\n0.746550 0.107295 0.885868 O\n0.785664 0.188740 0.149769 O\n0.214336 0.811260 0.850231 O\n0.035639 0.196951 0.985733 O\n0.964361 0.803049 0.014267 O\n0.190834 0.438806 0.063177 O\n0.809166 0.561194 0.936823 O\n0.106348 0.032773 0.887085 O\n0.893652 0.967227 0.112915 O\n0.220958 0.541624 0.445018 O\n0.779042 0.458376 0.554982 O\n0.015280 0.716485 0.419502 O\n0.984720 0.283515 0.580498 O\n0.442855 0.013400 0.399018 O\n0.557145 0.986600 0.600982 O\n0.326429 0.229929 0.444910 O\n0.673571 0.770071 0.555090 O\n0.116489 0.605829 0.272423 O\n0.883511 0.394171 0.727577 O\n0.675954 0.263977 0.371187 O\n0.324046 0.736023 0.628813 O\n0.610572 0.139299 0.716636 O\n0.389428 0.860701 0.283364 O\n0.186888 0.206677 0.100412 O\n0.813112 0.793323 0.899588 O\n0.094172 0.151919 0.218277 O\n0.905828 0.848081 0.781723 O\n0.689565 0.195545 0.488927 O\n0.310435 0.804455 0.511073 O\n0.475506 0.324066 0.014003 O\n0.524494 0.675934 0.985997 O\n",
            "nsites": 66,
            "nelements": 4,
            "elements": [
                "P",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-N-O-P",
            "density": 1.764078072411276,
            "density_atomic": 0.05624240298146528,
            "volume": 1173.4918229178497,
            "volume_molar": 10.70747414897013,
            "formula_full": "P12 N14 Cl2 O38",
            "formula_reduced": "P6N7ClO19",
            "formula_anonymous": "AB6C7D19",
            "energy": -438.7341761,
            "energy_per_atom": -6.647487516666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -411.4001761,
            "band_gap": 0.1591,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 23.9980643,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:29.771000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1042418",
            "created_at": "2022-09-04T14:39:16.544553Z",
            "structure_string": "Zn8 Ag8 Bi8 O40\n1.0\n5.335960 0.000000 0.000000\n0.000000 10.329525 0.000000\n0.000000 0.000000 15.443228\nZn Ag Bi O\n8 8 8 40\ndirect\n0.549982 0.371271 0.559147 Zn\n0.049982 0.128729 0.559147 Zn\n0.049982 0.628729 0.940853 Zn\n0.950018 0.371271 0.059147 Zn\n0.450018 0.128729 0.059147 Zn\n0.950018 0.871271 0.440853 Zn\n0.450018 0.628729 0.440853 Zn\n0.549982 0.871271 0.940853 Zn\n0.029441 0.384987 0.419497 Ag\n0.470559 0.884987 0.580503 Ag\n0.970559 0.615013 0.580503 Ag\n0.529441 0.115013 0.419497 Ag\n0.970559 0.115013 0.919497 Ag\n0.029441 0.884987 0.080503 Ag\n0.470559 0.384987 0.919497 Ag\n0.529441 0.615013 0.080503 Ag\n0.038816 0.855598 0.754665 Bi\n0.961184 0.144402 0.245335 Bi\n0.461184 0.355598 0.245335 Bi\n0.961184 0.644402 0.254665 Bi\n0.538816 0.144402 0.745335 Bi\n0.538816 0.644402 0.754665 Bi\n0.461184 0.855598 0.254665 Bi\n0.038816 0.355598 0.745335 Bi\n0.787301 0.300904 0.328071 O\n0.269504 0.975572 0.995345 O\n0.230496 0.475572 0.004655 O\n0.376587 0.809682 0.827392 O\n0.123413 0.309682 0.172608 O\n0.787301 0.800904 0.171929 O\n0.123413 0.809682 0.327392 O\n0.712699 0.800904 0.671929 O\n0.269504 0.475572 0.504655 O\n0.212699 0.699096 0.671929 O\n0.712699 0.300904 0.828071 O\n0.854440 0.280730 0.510453 O\n0.769504 0.024428 0.504655 O\n0.623413 0.690318 0.327392 O\n0.214749 0.000063 0.171218 O\n0.769504 0.524428 0.995345 O\n0.212699 0.199096 0.828071 O\n0.876587 0.190318 0.672608 O\n0.354440 0.719270 0.989547 O\n0.230496 0.975572 0.495345 O\n0.145560 0.719270 0.489547 O\n0.785251 0.999937 0.828782 O\n0.623413 0.190318 0.172608 O\n0.714749 0.999937 0.328782 O\n0.145560 0.219270 0.010453 O\n0.354440 0.219270 0.510453 O\n0.730496 0.524428 0.495345 O\n0.730496 0.024428 0.004655 O\n0.714749 0.499937 0.171218 O\n0.645560 0.780730 0.489547 O\n0.645560 0.280730 0.010453 O\n0.854440 0.780730 0.989547 O\n0.785251 0.499937 0.671218 O\n0.876587 0.690318 0.827392 O\n0.376587 0.309682 0.672608 O\n0.214749 0.500063 0.328782 O\n0.285251 0.500063 0.828782 O\n0.287301 0.199096 0.328071 O\n0.285251 0.000063 0.671218 O\n0.287301 0.699096 0.171929 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Zn",
                "Ag",
                "Bi",
                "O"
            ],
            "chemical_system": "Ag-Bi-O-Zn",
            "density": 7.2142190735612255,
            "density_atomic": 0.07518807644008506,
            "volume": 851.1987941465629,
            "volume_molar": 8.009435864207603,
            "formula_full": "Zn8 Ag8 Bi8 O40",
            "formula_reduced": "ZnAgBiO5",
            "formula_anonymous": "ABCD5",
            "energy": -324.2516294,
            "energy_per_atom": -5.066431709375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -296.7716294,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.2038378,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:43.229000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1187777",
            "created_at": "2022-09-04T14:39:19.200835Z",
            "structure_string": "Xe4\n1.0\n3.967823 -8.557248 0.000000\n3.967823 8.557248 0.000000\n0.000000 0.000000 5.078424\nXe\n4\ndirect\n0.366897 0.633103 0.485509 Xe\n0.866897 0.133103 0.014491 Xe\n0.133103 0.866897 0.985509 Xe\n0.633103 0.366897 0.514491 Xe\n",
            "nsites": 4,
            "nelements": 1,
            "elements": [
                "Xe"
            ],
            "chemical_system": "Xe",
            "density": 2.528746521824349,
            "density_atomic": 0.011598841907831548,
            "volume": 344.8620156896178,
            "volume_molar": 51.92019003150517,
            "formula_full": "Xe4",
            "formula_reduced": "Xe",
            "formula_anonymous": "A",
            "energy": -0.12689711,
            "energy_per_atom": -0.0317242775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -0.12689711,
            "band_gap": 6.152100000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.190000Z",
            "spacegroup": 64
        },
        {
            "id": "mp-1228529",
            "created_at": "2022-09-04T14:39:16.555063Z",
            "structure_string": "Ba2 Sr1 Tm6 O12\n1.0\n-0.000009 0.000003 -3.441932\n-5.181666 -8.974873 -0.000006\n-5.181710 8.974898 -0.000020\nBa Sr Tm O\n2 1 6 12\ndirect\n0.504431 0.000002 0.000001 Ba\n0.748093 0.666668 0.333333 Ba\n0.252551 0.333330 0.666668 Sr\n0.755874 0.345232 0.994583 Tm\n0.755872 0.005417 0.350649 Tm\n0.755865 0.649346 0.654763 Tm\n0.242741 0.651231 0.998116 Tm\n0.242761 0.001886 0.653116 Tm\n0.242769 0.346885 0.348773 Tm\n0.744880 0.886114 0.695241 O\n0.744879 0.304759 0.190874 O\n0.744888 0.809129 0.113882 O\n0.254084 0.110272 0.296390 O\n0.254081 0.703613 0.813881 O\n0.254081 0.186118 0.889731 O\n0.749907 0.126720 0.606990 O\n0.749908 0.393011 0.519731 O\n0.749907 0.480268 0.873278 O\n0.250810 0.890630 0.402346 O\n0.250807 0.597651 0.488282 O\n0.250812 0.511718 0.109371 O\n",
            "nsites": 21,
            "nelements": 4,
            "elements": [
                "Ba",
                "Sr",
                "Tm",
                "O"
            ],
            "chemical_system": "Ba-O-Sr-Tm",
            "density": 8.1325597063061,
            "density_atomic": 0.06559743181184653,
            "volume": 320.13448423155364,
            "volume_molar": 9.180452029392459,
            "formula_full": "Ba2 Sr1 Tm6 O12",
            "formula_reduced": "Ba2SrTm6O12",
            "formula_anonymous": "AB2C6D12",
            "energy": -169.9989192,
            "energy_per_atom": -8.095186628571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -161.7549192,
            "band_gap": 2.4154,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007449,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:38.997000Z",
            "spacegroup": 143
        },
        {
            "id": "mp-1284292",
            "created_at": "2022-09-04T14:39:16.557673Z",
            "structure_string": "V4 Re4 O16\n1.0\n4.801487 -0.072774 -0.000100\n0.000068 -0.000013 -5.708878\n-0.146123 9.580007 -2.853825\nV Re O\n4 4 16\ndirect\n0.509764 0.131944 0.236816 V\n0.500081 0.874486 0.750037 V\n0.500938 0.374982 0.749419 V\n0.489400 0.618652 0.263653 V\n0.001427 0.778543 0.498991 Re\n0.998276 0.527547 0.001185 Re\n0.001550 0.222191 0.499001 Re\n0.998394 0.971312 0.001011 Re\n0.191065 0.296742 0.906281 O\n0.222281 0.057798 0.384990 O\n0.217833 0.805127 0.889581 O\n0.188175 0.547196 0.405815 O\n0.810253 0.452623 0.594339 O\n0.810243 0.203081 0.093899 O\n0.784583 0.944033 0.611479 O\n0.775243 0.693277 0.113788 O\n0.290360 0.682250 0.642350 O\n0.286245 0.437814 0.143894 O\n0.290068 0.174819 0.642332 O\n0.286137 0.919243 0.143771 O\n0.712267 0.574809 0.856861 O\n0.711724 0.313145 0.356960 O\n0.712121 0.067585 0.856822 O\n0.711572 0.830800 0.356725 O\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "V",
                "Re",
                "O"
            ],
            "chemical_system": "O-Re-V",
            "density": 7.618932525138688,
            "density_atomic": 0.09141533120936984,
            "volume": 262.5380194163762,
            "volume_molar": 6.58767044907096,
            "formula_full": "V4 Re4 O16",
            "formula_reduced": "VReO4",
            "formula_anonymous": "ABC4",
            "energy": -218.51705592,
            "energy_per_atom": -9.104877329999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -200.72505592,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.5936279,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:43.487000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1206191",
            "created_at": "2022-09-04T14:39:16.558712Z",
            "structure_string": "Tb3 Ag4 Sn4\n1.0\n-4.630101 0.000000 0.000000\n0.000000 -7.368813 0.000000\n2.315051 3.684406 7.663939\nTb Ag Sn\n3 4 4\ndirect\n0.871737 0.371737 0.743474 Tb\n0.128263 0.628263 0.256526 Tb\n0.000000 0.000000 0.000000 Tb\n0.328574 0.025697 0.657147 Ag\n0.671426 0.974303 0.342853 Ag\n0.328574 0.631450 0.657147 Ag\n0.671426 0.368550 0.342853 Ag\n0.214237 0.214237 0.428473 Sn\n0.785763 0.785763 0.571527 Sn\n0.500000 0.304270 0.000000 Sn\n0.500000 0.695730 0.000000 Sn\n",
            "nsites": 11,
            "nelements": 3,
            "elements": [
                "Tb",
                "Ag",
                "Sn"
            ],
            "chemical_system": "Ag-Sn-Tb",
            "density": 8.78332874754663,
            "density_atomic": 0.042068075586825425,
            "volume": 261.48094122577123,
            "volume_molar": 14.315227582898922,
            "formula_full": "Tb3 Ag4 Sn4",
            "formula_reduced": "Tb3(AgSn)4",
            "formula_anonymous": "A3B4C4",
            "energy": -46.75361083,
            "energy_per_atom": -4.250328257272727,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.75361083,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0026044,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.581000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1245896",
            "created_at": "2022-09-04T14:39:16.560365Z",
            "structure_string": "Na2 Fe2 N2\n1.0\n3.007394 0.000000 0.000000\n-1.503697 2.604477 0.000000\n0.000000 0.000000 9.871610\nNa Fe N\n2 2 2\ndirect\n0.666671 0.333343 0.761636 Na\n0.333329 0.666657 0.261636 Na\n0.999998 0.999995 0.518094 Fe\n0.000002 0.000005 0.018094 Fe\n0.333331 0.666661 0.564909 N\n0.666669 0.333339 0.064909 N\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Na",
                "Fe",
                "N"
            ],
            "chemical_system": "Fe-N-Na",
            "density": 3.9876979332678135,
            "density_atomic": 0.07759833549716982,
            "volume": 77.3212461524878,
            "volume_molar": 7.7606571344815,
            "formula_full": "Na2 Fe2 N2",
            "formula_reduced": "NaFeN",
            "formula_anonymous": "ABC",
            "energy": -37.45573966,
            "energy_per_atom": -6.2426232766666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.73373966,
            "band_gap": 0.4481000000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.00739,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.923000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-1184104",
            "created_at": "2022-09-04T14:39:16.561618Z",
            "structure_string": "Cu1 Rh2 Pb1\n1.0\n0.000000 3.166661 3.166661\n3.166661 0.000000 3.166661\n3.166661 3.166661 0.000000\nCu Rh Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n0.750000 0.750000 0.750000 Pb\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Cu",
                "Rh",
                "Pb"
            ],
            "chemical_system": "Cu-Pb-Rh",
            "density": 12.460321116341492,
            "density_atomic": 0.06298328024000509,
            "volume": 63.50891831542492,
            "volume_molar": 9.561491140270775,
            "formula_full": "Cu1 Rh2 Pb1",
            "formula_reduced": "CuRh2Pb",
            "formula_anonymous": "ABC2",
            "energy": -22.58974199,
            "energy_per_atom": -5.6474354975,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.58974199,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006274,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.085000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-780333",
            "created_at": "2022-09-04T14:39:16.570140Z",
            "structure_string": "Li12 Bi8 P12 O48\n1.0\n9.237253 0.000000 0.000000\n0.000000 9.308850 0.000000\n0.000000 9.189796 13.144612\nLi Bi P O\n12 8 12 48\ndirect\n0.111801 0.224830 0.692843 Li\n0.714403 0.180958 0.743647 Li\n0.769980 0.611316 0.179299 Li\n0.269980 0.388684 0.320701 Li\n0.214403 0.819042 0.756353 Li\n0.611801 0.775170 0.807157 Li\n0.388199 0.224830 0.192843 Li\n0.785597 0.180958 0.243647 Li\n0.730020 0.611316 0.679299 Li\n0.230020 0.388684 0.820701 Li\n0.285597 0.819042 0.256353 Li\n0.888199 0.775170 0.307157 Li\n0.446663 0.658854 0.101458 Bi\n0.040415 0.853527 0.900020 Bi\n0.540415 0.146473 0.599980 Bi\n0.946663 0.341146 0.398542 Bi\n0.053337 0.658854 0.601458 Bi\n0.459585 0.853527 0.400020 Bi\n0.959585 0.146473 0.099980 Bi\n0.553337 0.341146 0.898542 Bi\n0.241633 0.464012 0.489387 P\n0.390198 0.067809 0.834780 P\n0.092227 0.734451 0.168029 P\n0.592227 0.265549 0.331971 P\n0.890198 0.932191 0.665220 P\n0.741633 0.535988 0.010613 P\n0.258367 0.464012 0.989387 P\n0.109802 0.067809 0.334780 P\n0.407773 0.734451 0.668029 P\n0.907773 0.265549 0.831971 P\n0.609802 0.932191 0.165220 P\n0.758367 0.535988 0.510613 P\n0.871101 0.546303 0.435151 O\n0.710090 0.344004 0.591775 O\n0.899224 0.115179 0.815159 O\n0.610294 0.756495 0.173794 O\n0.369631 0.346772 0.554842 O\n0.245388 0.054014 0.789637 O\n0.175479 0.391010 0.431172 O\n0.401408 0.911749 0.947405 O\n0.071929 0.808160 0.055398 O\n0.238831 0.635410 0.209005 O\n0.960344 0.618197 0.231863 O\n0.523133 0.065370 0.774669 O\n0.023133 0.934630 0.725331 O\n0.460344 0.381803 0.268137 O\n0.738831 0.364590 0.290995 O\n0.571929 0.191840 0.444602 O\n0.901408 0.088251 0.552595 O\n0.675479 0.608990 0.068828 O\n0.745388 0.945986 0.710363 O\n0.869631 0.653228 0.945158 O\n0.110294 0.243505 0.326206 O\n0.399224 0.884821 0.684841 O\n0.210090 0.655996 0.908225 O\n0.371101 0.453697 0.064849 O\n0.628899 0.546303 0.935151 O\n0.789910 0.344004 0.091775 O\n0.600776 0.115179 0.315159 O\n0.889706 0.756495 0.673794 O\n0.130369 0.346772 0.054842 O\n0.254612 0.054014 0.289637 O\n0.324521 0.391010 0.931172 O\n0.098592 0.911749 0.447405 O\n0.428071 0.808160 0.555398 O\n0.261169 0.635410 0.709005 O\n0.539656 0.618197 0.731863 O\n0.976867 0.065370 0.274669 O\n0.476867 0.934630 0.225331 O\n0.039656 0.381803 0.768137 O\n0.761169 0.364590 0.790995 O\n0.928071 0.191840 0.944602 O\n0.598592 0.088251 0.052595 O\n0.824521 0.608990 0.568828 O\n0.754612 0.945986 0.210363 O\n0.630369 0.653228 0.445158 O\n0.389706 0.243505 0.826206 O\n0.100776 0.884821 0.184841 O\n0.289910 0.655996 0.408225 O\n0.128899 0.453697 0.564849 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "P",
                "O"
            ],
            "chemical_system": "Bi-Li-O-P",
            "density": 4.252846919073859,
            "density_atomic": 0.07077882437325735,
            "volume": 1130.2815596104579,
            "volume_molar": 8.508393313008135,
            "formula_full": "Li12 Bi8 P12 O48",
            "formula_reduced": "Li3Bi2(PO4)3",
            "formula_anonymous": "A2B3C3D12",
            "energy": -557.37887768,
            "energy_per_atom": -6.967235970999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -524.40287768,
            "band_gap": 4.1065,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.449000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1210776",
            "created_at": "2022-09-04T14:39:16.584057Z",
            "structure_string": "Nd20 Ti20 O68\n1.0\n5.494989 0.000000 0.000000\n0.000000 7.783784 0.000000\n0.000000 3.921672 31.704670\nNd Ti O\n20 20 68\ndirect\n0.495299 0.790685 0.416755 Nd\n0.504701 0.209315 0.583245 Nd\n0.995299 0.209315 0.083245 Nd\n0.004701 0.790685 0.916755 Nd\n0.496712 0.700080 0.597352 Nd\n0.503288 0.299920 0.402648 Nd\n0.996712 0.299920 0.902648 Nd\n0.003288 0.700080 0.097352 Nd\n0.492056 0.745720 0.007451 Nd\n0.507944 0.254280 0.992549 Nd\n0.992056 0.254280 0.492549 Nd\n0.007944 0.745720 0.507451 Nd\n0.466835 0.642664 0.202899 Nd\n0.533165 0.357336 0.797101 Nd\n0.966835 0.357336 0.297101 Nd\n0.033165 0.642664 0.702899 Nd\n0.897699 0.858373 0.279181 Nd\n0.102301 0.141627 0.720819 Nd\n0.397699 0.141627 0.220819 Nd\n0.602301 0.858373 0.779181 Nd\n0.488767 0.952527 0.092986 Ti\n0.511233 0.047473 0.907014 Ti\n0.988767 0.047473 0.407014 Ti\n0.011233 0.952527 0.592986 Ti\n0.990431 0.545348 0.406110 Ti\n0.009569 0.454652 0.593890 Ti\n0.490431 0.454652 0.093890 Ti\n0.509569 0.545348 0.906110 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.957871 0.405215 0.178434 Ti\n0.042129 0.594785 0.821566 Ti\n0.457871 0.594785 0.321566 Ti\n0.542129 0.405215 0.678434 Ti\n0.966508 0.920292 0.176191 Ti\n0.033492 0.079708 0.823809 Ti\n0.466508 0.079708 0.323809 Ti\n0.533492 0.920292 0.676191 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.210940 0.976612 0.465092 O\n0.789060 0.023388 0.534908 O\n0.710940 0.023388 0.034908 O\n0.289060 0.976612 0.965092 O\n0.900152 0.662861 0.171602 O\n0.099848 0.337139 0.828398 O\n0.400152 0.337139 0.328398 O\n0.599848 0.662861 0.671602 O\n0.294522 0.869816 0.137859 O\n0.705478 0.130184 0.862141 O\n0.794522 0.130184 0.362141 O\n0.205478 0.869816 0.637859 O\n0.922405 0.751839 0.996375 O\n0.077595 0.248161 0.003625 O\n0.422405 0.248161 0.503625 O\n0.577595 0.751839 0.496375 O\n0.668930 0.595918 0.273755 O\n0.331070 0.404082 0.726245 O\n0.168930 0.404082 0.226245 O\n0.831070 0.595918 0.773755 O\n0.800549 0.506121 0.360964 O\n0.199451 0.493879 0.639036 O\n0.300549 0.493879 0.139036 O\n0.699451 0.506121 0.860964 O\n0.934843 0.794612 0.409717 O\n0.065157 0.205388 0.590283 O\n0.434843 0.205388 0.090283 O\n0.565157 0.794612 0.909717 O\n0.697638 0.918149 0.211381 O\n0.302362 0.081851 0.788619 O\n0.197638 0.081851 0.288619 O\n0.802362 0.918149 0.711381 O\n0.185462 0.869072 0.220872 O\n0.814538 0.130928 0.779128 O\n0.685462 0.130928 0.279128 O\n0.314538 0.869072 0.720872 O\n0.560033 0.834224 0.330647 O\n0.439967 0.165776 0.669353 O\n0.060033 0.165776 0.169353 O\n0.939967 0.834224 0.830647 O\n0.813788 0.419185 0.118776 O\n0.186212 0.580815 0.881224 O\n0.313788 0.580815 0.381224 O\n0.686212 0.419185 0.618776 O\n0.810244 0.962732 0.119235 O\n0.189756 0.037268 0.880765 O\n0.310244 0.037268 0.380765 O\n0.689756 0.962732 0.619235 O\n0.712488 0.488027 0.448098 O\n0.287512 0.511973 0.551902 O\n0.212488 0.511973 0.051902 O\n0.787512 0.488027 0.948098 O\n0.711317 0.442254 0.034709 O\n0.288683 0.557746 0.965291 O\n0.211317 0.557746 0.465291 O\n0.788683 0.442254 0.534709 O\n0.212718 0.936046 0.051474 O\n0.787282 0.063954 0.948526 O\n0.712718 0.063954 0.448526 O\n0.287282 0.936046 0.551474 O\n0.674552 0.368006 0.204623 O\n0.325448 0.631994 0.795377 O\n0.174552 0.631994 0.295377 O\n0.825448 0.368006 0.704623 O\n0.579368 0.709812 0.080495 O\n0.420632 0.290188 0.919505 O\n0.079368 0.290188 0.419505 O\n0.920632 0.709812 0.580495 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Nd",
                "Ti",
                "O"
            ],
            "chemical_system": "Nd-O-Ti",
            "density": 6.037087058620953,
            "density_atomic": 0.07964213891719318,
            "volume": 1356.06604077135,
            "volume_molar": 7.561500534612008,
            "formula_full": "Nd20 Ti20 O68",
            "formula_reduced": "Nd5Ti5O17",
            "formula_anonymous": "A5B5C17",
            "energy": -989.89754713,
            "energy_per_atom": -9.165718028981482,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -943.18154713,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.4447384,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.047000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1247914",
            "created_at": "2022-09-04T14:39:16.594126Z",
            "structure_string": "Al12 O18\n1.0\n3.089485 0.000000 0.000000\n0.000000 7.375550 0.015676\n0.000000 0.040858 15.215919\nAl O\n12 18\ndirect\n0.000000 0.003758 0.993334 Al\n0.000000 0.998198 0.502962 Al\n0.500000 0.236604 0.091457 Al\n0.500000 0.149438 0.639080 Al\n0.500000 0.174408 0.330137 Al\n0.500000 0.205180 0.824715 Al\n0.500000 0.813277 0.178726 Al\n0.500000 0.766697 0.673408 Al\n0.500000 0.823868 0.864009 Al\n0.500000 0.791399 0.370012 Al\n0.000000 0.488283 0.241778 Al\n0.000000 0.485696 0.751152 Al\n0.000000 0.241587 0.037069 O\n0.000000 0.697568 0.163140 O\n0.000000 0.187752 0.586283 O\n0.500000 0.955906 0.275202 O\n0.500000 0.985645 0.753519 O\n0.500000 0.079205 0.437936 O\n0.500000 0.057409 0.920928 O\n0.500000 0.369759 0.183548 O\n0.500000 0.975352 0.082791 O\n0.500000 0.338794 0.714695 O\n0.500000 0.603828 0.296415 O\n0.500000 0.636612 0.789744 O\n0.500000 0.917502 0.581187 O\n0.000000 0.288567 0.318486 O\n0.000000 0.792260 0.428779 O\n0.000000 0.319018 0.843775 O\n0.000000 0.649466 0.658381 O\n0.000000 0.793665 0.924251 O\n",
            "nsites": 30,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 2.9299445629785867,
            "density_atomic": 0.08652568439654319,
            "volume": 346.7178585090572,
            "volume_molar": 6.95994582649102,
            "formula_full": "Al12 O18",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -234.02040429,
            "energy_per_atom": -7.800680142999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -221.65440429,
            "band_gap": 3.9999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 4.16e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:43.846000Z",
            "spacegroup": 6
        }
    ]
}