GET /third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=10116
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=density_atomic&page=10117",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=10115",
    "results": [
        {
            "id": "mp-771757",
            "created_at": "2022-09-04T14:41:51.358037Z",
            "structure_string": "Li4 V3 Co3 Te2 O16\n1.0\n5.890910 0.000000 0.000000\n-2.938157 -5.285722 0.000000\n-0.034079 0.004167 -10.284235\nLi V Co Te O\n4 3 3 2 16\ndirect\n0.659053 0.327368 0.902378 Li\n0.999582 0.996334 0.995737 Li\n0.994463 0.985909 0.485029 Li\n0.341769 0.684953 0.405652 Li\n0.820592 0.640722 0.234917 V\n0.157139 0.801629 0.720597 V\n0.658576 0.814512 0.721868 V\n0.342974 0.171035 0.215725 Co\n0.827836 0.171315 0.215375 Co\n0.168981 0.332459 0.705490 Co\n0.646037 0.292670 0.497510 Te\n0.329232 0.661383 0.014316 Te\n0.316982 0.143030 0.590840 O\n0.523040 0.043873 0.355156 O\n0.689929 0.380424 0.110562 O\n0.984761 0.970446 0.300072 O\n0.006126 0.992118 0.807830 O\n0.819510 0.133117 0.595159 O\n0.532826 0.516469 0.332025 O\n0.985197 0.517285 0.331068 O\n0.163076 0.326362 0.095534 O\n0.868701 0.713325 0.610965 O\n0.012735 0.528290 0.817803 O\n0.516398 0.530815 0.813343 O\n0.331953 0.689363 0.608058 O\n0.164077 0.831235 0.103871 O\n0.471590 0.972451 0.818795 O\n0.666565 0.831107 0.102166 O\n",
            "nsites": 28,
            "nelements": 5,
            "elements": [
                "Li",
                "V",
                "Co",
                "Te",
                "O"
            ],
            "chemical_system": "Co-Li-O-Te-V",
            "density": 4.5040112585662895,
            "density_atomic": 0.08743782252519897,
            "volume": 320.22755360737165,
            "volume_molar": 6.887340725192992,
            "formula_full": "Li4 V3 Co3 Te2 O16",
            "formula_reduced": "Li4V3Co3(TeO8)2",
            "formula_anonymous": "A2B3C3D4E16",
            "energy": -196.33469973,
            "energy_per_atom": -7.011953561785715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -175.32869973,
            "band_gap": 1.2845,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9998926,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.112000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-767798",
            "created_at": "2022-09-04T14:39:45.225545Z",
            "structure_string": "Ni17 As12 O48\n1.0\n9.269181 4.872213 0.000000\n-9.269181 4.872213 0.000000\n0.000000 0.079330 9.749642\nNi As O\n17 12 48\ndirect\n0.228032 0.273901 0.750939 Ni\n0.376645 0.628159 0.752875 Ni\n0.372253 0.122449 0.997371 Ni\n0.226610 0.773390 0.500000 Ni\n0.727171 0.272829 0.000000 Ni\n0.272228 0.727772 0.000000 Ni\n0.777156 0.728913 0.751329 Ni\n0.271087 0.222844 0.248671 Ni\n0.376021 0.125146 0.501750 Ni\n0.877551 0.627747 0.002629 Ni\n0.371841 0.623355 0.247125 Ni\n0.488161 0.511839 0.500000 Ni\n0.726099 0.771968 0.249061 Ni\n0.875996 0.125666 0.246107 Ni\n0.874854 0.623979 0.498250 Ni\n0.773083 0.226917 0.500000 Ni\n0.874334 0.124004 0.753893 Ni\n0.174355 0.923596 0.797202 As\n0.076404 0.825645 0.202798 As\n0.078095 0.328774 0.047682 As\n0.501406 0.498594 0.000000 As\n0.999987 0.500750 0.751112 As\n0.499250 0.000013 0.248888 As\n0.169621 0.423304 0.451195 As\n0.671226 0.921905 0.952318 As\n0.670753 0.418316 0.299361 As\n0.581684 0.329247 0.700639 As\n0.576696 0.830379 0.548805 As\n0.998548 0.001452 0.500000 As\n0.081697 0.697373 0.093547 O\n0.219286 0.101768 0.855113 O\n0.302627 0.918303 0.906453 O\n0.062648 0.268030 0.881380 O\n0.178187 0.590593 0.827764 O\n0.060235 0.767628 0.370385 O\n0.558846 0.270002 0.867595 O\n0.221204 0.014678 0.164075 O\n0.382168 0.467731 0.864378 O\n0.085093 0.202769 0.159635 O\n0.032901 0.619807 0.614152 O\n0.407588 0.317613 0.076331 O\n0.533034 0.124412 0.115468 O\n0.223706 0.517343 0.085044 O\n0.482657 0.776294 0.914956 O\n0.380193 0.967099 0.385848 O\n0.178902 0.092805 0.424569 O\n0.875588 0.466966 0.884532 O\n0.682387 0.592412 0.923669 O\n0.797231 0.914907 0.840365 O\n0.310841 0.416649 0.354502 O\n0.532269 0.617832 0.135622 O\n0.032817 0.122582 0.636416 O\n0.232372 0.939765 0.629615 O\n0.985322 0.778796 0.835925 O\n0.480372 0.275881 0.338182 O\n0.729998 0.441154 0.132405 O\n0.409407 0.821813 0.172236 O\n0.211342 0.596895 0.389370 O\n0.713535 0.098574 0.890507 O\n0.254303 0.445788 0.611348 O\n0.731970 0.937352 0.118620 O\n0.416446 0.312311 0.628218 O\n0.583417 0.197662 0.596013 O\n0.898232 0.780714 0.144887 O\n0.687689 0.583554 0.371782 O\n0.802338 0.416583 0.403987 O\n0.554212 0.745697 0.388652 O\n0.901426 0.286465 0.109493 O\n0.403105 0.788658 0.610630 O\n0.677795 0.084931 0.327265 O\n0.724119 0.519628 0.661818 O\n0.877418 0.967183 0.363584 O\n0.583351 0.689159 0.645498 O\n0.907195 0.821098 0.575431 O\n0.725578 0.015267 0.585009 O\n0.984733 0.274422 0.414991 O\n0.915069 0.322205 0.672735 O\n",
            "nsites": 77,
            "nelements": 3,
            "elements": [
                "Ni",
                "As",
                "O"
            ],
            "chemical_system": "As-Ni-O",
            "density": 5.024934321111064,
            "density_atomic": 0.08743884887718194,
            "volume": 880.6154356875795,
            "volume_molar": 6.887259881999131,
            "formula_full": "Ni17 As12 O48",
            "formula_reduced": "Ni17(AsO4)12",
            "formula_anonymous": "A12B17C48",
            "energy": -506.68081725,
            "energy_per_atom": -6.580270353896104,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -430.50781725,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 32.0002967,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.135000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-973793",
            "created_at": "2022-09-04T14:40:01.109625Z",
            "structure_string": "Li16 Se2 N4\n1.0\n-3.546961 3.546961 4.999692\n3.546961 -3.546961 4.999692\n3.546961 3.546961 -4.999692\nLi Se N\n16 2 4\ndirect\n0.113720 0.613720 0.500000 Li\n0.157218 0.735671 0.044219 Li\n0.157218 0.112999 0.421548 Li\n0.308744 0.654205 0.345461 Li\n0.308744 0.963283 0.654539 Li\n0.363720 0.363720 0.000000 Li\n0.404205 0.558744 0.845461 Li\n0.485671 0.941452 0.078452 Li\n0.485671 0.407218 0.544219 Li\n0.536631 0.036631 0.500000 Li\n0.691452 0.735671 0.578452 Li\n0.691452 0.112999 0.955781 Li\n0.713283 0.558744 0.154539 Li\n0.786631 0.786631 0.000000 Li\n0.862999 0.941452 0.455781 Li\n0.862999 0.407218 0.921548 Li\n0.100521 0.100521 0.000000 Se\n0.850521 0.350521 0.500000 Se\n0.018518 0.749736 0.268782 N\n0.480954 0.749736 0.731218 N\n0.499736 0.730954 0.231218 N\n0.499736 0.268518 0.768782 N\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Li",
                "Se",
                "N"
            ],
            "chemical_system": "Li-N-Se",
            "density": 2.1449646102819324,
            "density_atomic": 0.08743928787124482,
            "volume": 251.60314700178265,
            "volume_molar": 6.887225304107759,
            "formula_full": "Li16 Se2 N4",
            "formula_reduced": "Li8SeN2",
            "formula_anonymous": "AB2C8",
            "energy": -86.71426743,
            "energy_per_atom": -3.9415576104545456,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.32626743,
            "band_gap": 1.7523,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.28e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:44.652000Z",
            "spacegroup": 109
        },
        {
            "id": "mp-777721",
            "created_at": "2022-09-04T14:40:40.440384Z",
            "structure_string": "Li2 Fe3 W1 O8\n1.0\n6.128952 0.038923 0.027523\n3.098184 5.288366 0.027523\n3.098184 1.788738 4.976746\nLi Fe W O\n2 3 1 8\ndirect\n0.132536 0.132536 0.132536 Li\n0.867464 0.867464 0.867464 Li\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 W\n0.267625 0.267625 0.267625 O\n0.270493 0.270493 0.720599 O\n0.270493 0.720599 0.270493 O\n0.720599 0.270493 0.270493 O\n0.279401 0.729507 0.729507 O\n0.729507 0.279401 0.729507 O\n0.729507 0.729507 0.279401 O\n0.732375 0.732375 0.732375 O\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "Li",
                "Fe",
                "W",
                "O"
            ],
            "chemical_system": "Fe-Li-O-W",
            "density": 5.115636101676119,
            "density_atomic": 0.0874398795760638,
            "volume": 160.1100100763682,
            "volume_molar": 6.88717869832077,
            "formula_full": "Li2 Fe3 W1 O8",
            "formula_reduced": "Li2Fe3WO8",
            "formula_anonymous": "AB2C3D8",
            "energy": -108.55201988,
            "energy_per_atom": -7.753715705714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -91.85001988,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.9981475,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:03.123000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-770360",
            "created_at": "2022-09-04T14:46:07.585090Z",
            "structure_string": "Li8 Al4 V4 O16\n1.0\n11.034720 0.000000 0.000000\n0.000000 5.125235 0.000000\n0.000000 5.088461 6.470870\nLi Al V O\n8 4 4 16\ndirect\n0.664150 0.683931 0.505922 Li\n0.422756 0.465471 0.738221 Li\n0.922756 0.534529 0.761779 Li\n0.164150 0.316069 0.994078 Li\n0.835850 0.683931 0.005922 Li\n0.077244 0.465471 0.238221 Li\n0.577244 0.534529 0.261779 Li\n0.335850 0.316069 0.494078 Li\n0.085721 0.067381 0.746063 Al\n0.585721 0.932619 0.753937 Al\n0.414279 0.067381 0.246063 Al\n0.914279 0.932619 0.253937 Al\n0.833684 0.184403 0.503725 V\n0.333684 0.815597 0.996275 V\n0.666316 0.184403 0.003725 V\n0.166316 0.815597 0.496275 V\n0.162143 0.175195 0.520433 O\n0.666262 0.261769 0.530183 O\n0.433106 0.044254 0.749481 O\n0.090402 0.424254 0.738031 O\n0.590402 0.575746 0.761969 O\n0.933106 0.955746 0.750519 O\n0.166262 0.738231 0.969817 O\n0.662143 0.824805 0.979567 O\n0.337857 0.175195 0.020433 O\n0.833738 0.261769 0.030183 O\n0.066894 0.044254 0.249481 O\n0.409598 0.424254 0.238031 O\n0.909598 0.575746 0.261969 O\n0.566894 0.955746 0.250519 O\n0.333738 0.738231 0.469817 O\n0.837857 0.824805 0.479567 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Al",
                "V",
                "O"
            ],
            "chemical_system": "Al-Li-O-V",
            "density": 2.827783274092939,
            "density_atomic": 0.08744041345777982,
            "volume": 365.9635028538725,
            "volume_molar": 6.887136647527131,
            "formula_full": "Li8 Al4 V4 O16",
            "formula_reduced": "Li2AlVO4",
            "formula_anonymous": "ABC2D4",
            "energy": -232.12572808,
            "energy_per_atom": -7.2539290025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -214.33372808,
            "band_gap": 2.1358,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.002727,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:27.979000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1246013",
            "created_at": "2022-09-04T14:41:32.486648Z",
            "structure_string": "V2 C3 N6\n1.0\n8.587115 -0.727060 0.190758\n0.783929 2.930460 0.000000\n0.744304 -0.199110 4.905680\nV C N\n2 3 6\ndirect\n0.201881 0.899059 0.944752 V\n0.798119 0.100941 0.055248 V\n0.703946 0.648027 0.580836 C\n0.296054 0.351973 0.419164 C\n0.000000 0.000000 0.500000 C\n0.298796 0.350602 0.666389 N\n0.701204 0.649398 0.333611 N\n0.292779 0.353610 0.172620 N\n0.707221 0.646390 0.827380 N\n0.996950 0.001525 0.252692 N\n0.003050 0.998475 0.747308 N\n",
            "nsites": 11,
            "nelements": 3,
            "elements": [
                "V",
                "C",
                "N"
            ],
            "chemical_system": "C-N-V",
            "density": 2.9298263886246305,
            "density_atomic": 0.0874419741850411,
            "volume": 125.79770873793693,
            "volume_molar": 6.88701372095762,
            "formula_full": "V2 C3 N6",
            "formula_reduced": "V2(CN2)3",
            "formula_anonymous": "A2B3C6",
            "energy": -98.38769167,
            "energy_per_atom": -8.944335606363635,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -96.22169167,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9825508,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:28.711000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1177762",
            "created_at": "2022-09-04T14:41:21.910975Z",
            "structure_string": "Li4 V2 Fe2 P4 O16 F4\n1.0\n6.976435 0.000000 0.000000\n-3.442557 6.573418 0.000000\n-0.224948 -0.252339 7.979966\nLi V Fe P O F\n4 2 2 4 16 4\ndirect\n0.442329 0.188614 0.827402 Li\n0.944213 0.188324 0.327100 Li\n0.055787 0.811676 0.672900 Li\n0.557671 0.811386 0.172598 Li\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.483411 0.763018 0.840742 P\n0.980951 0.762055 0.340878 P\n0.019049 0.237945 0.659122 P\n0.516589 0.236982 0.159258 P\n0.981960 0.390434 0.767443 O\n0.808129 0.087234 0.560415 O\n0.694493 0.913225 0.939185 O\n0.325707 0.656525 0.982996 O\n0.519185 0.611940 0.730001 O\n0.823252 0.658297 0.483328 O\n0.102698 0.113096 0.769197 O\n0.600369 0.110307 0.267378 O\n0.399631 0.889693 0.732622 O\n0.897302 0.886904 0.230803 O\n0.176748 0.341703 0.516672 O\n0.480815 0.388060 0.269999 O\n0.674293 0.343475 0.017004 O\n0.305507 0.086775 0.060815 O\n0.191871 0.912766 0.439585 O\n0.018040 0.609566 0.232557 O\n0.973532 0.739666 0.899421 F\n0.527477 0.265300 0.601716 F\n0.472523 0.734700 0.398284 F\n0.026468 0.260334 0.100579 F\n",
            "nsites": 32,
            "nelements": 6,
            "elements": [
                "Li",
                "V",
                "Fe",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-Li-O-P-V",
            "density": 3.163666074269417,
            "density_atomic": 0.08744281605497302,
            "volume": 365.95344756374766,
            "volume_molar": 6.886947415113023,
            "formula_full": "Li4 V2 Fe2 P4 O16 F4",
            "formula_reduced": "Li2VFeP2(O4F)2",
            "formula_anonymous": "ABC2D2E2F8",
            "energy": -237.08830802,
            "energy_per_atom": -7.409009625625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -216.33630802,
            "band_gap": 1.7344000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9984236,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:16.731000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-755596",
            "created_at": "2022-09-04T14:41:25.130991Z",
            "structure_string": "Ti1 Cr1 O4\n1.0\n-1.873278 1.873278 4.888235\n1.873278 -1.873278 4.888235\n1.873278 1.873278 -4.888235\nTi Cr O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.960598 0.460598 0.500000 O\n0.797638 0.797638 0.000000 O\n0.539402 0.039402 0.500000 O\n0.202362 0.202362 0.000000 O\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Ti",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O-Ti",
            "density": 3.9655859771143875,
            "density_atomic": 0.08744494668331523,
            "volume": 68.61459955747013,
            "volume_molar": 6.886779612101981,
            "formula_full": "Ti1 Cr1 O4",
            "formula_reduced": "TiCrO4",
            "formula_anonymous": "ABC4",
            "energy": -53.5598114,
            "energy_per_atom": -8.926635233333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -48.8128114,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0000002,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.307000Z",
            "spacegroup": 119
        },
        {
            "id": "mp-558889",
            "created_at": "2022-09-04T14:47:42.728857Z",
            "structure_string": "Fe5 Cu2 P6 O24\n1.0\n6.334951 0.000000 0.000000\n-1.549984 7.902532 0.000000\n-2.836020 -3.157340 8.451884\nFe Cu P O\n5 2 6 24\ndirect\n0.384034 0.453432 0.116396 Fe\n0.049354 0.721405 0.526393 Fe\n0.000000 0.000000 0.000000 Fe\n0.615966 0.546568 0.883604 Fe\n0.950646 0.278595 0.473607 Fe\n0.739707 0.194845 0.729825 Cu\n0.260293 0.805155 0.270175 Cu\n0.399676 0.228356 0.369952 P\n0.232386 0.148276 0.771183 P\n0.905984 0.406652 0.168982 P\n0.767614 0.851724 0.228817 P\n0.094016 0.593348 0.831018 P\n0.600324 0.771644 0.630048 P\n0.122132 0.534261 0.162568 O\n0.793726 0.050557 0.294865 O\n0.636668 0.242715 0.490592 O\n0.247727 0.275460 0.464316 O\n0.979870 0.806400 0.332848 O\n0.561602 0.639716 0.717761 O\n0.877868 0.465739 0.837432 O\n0.689484 0.461203 0.084579 O\n0.462438 0.262775 0.771403 O\n0.767989 0.799842 0.056805 O\n0.886397 0.213456 0.085354 O\n0.363332 0.757285 0.509408 O\n0.930579 0.450829 0.345692 O\n0.069421 0.549171 0.654308 O\n0.020130 0.193600 0.667152 O\n0.537562 0.737225 0.228597 O\n0.113603 0.786544 0.914646 O\n0.752273 0.724540 0.535684 O\n0.438398 0.360284 0.282239 O\n0.232011 0.200158 0.943195 O\n0.280686 0.035869 0.238747 O\n0.310516 0.538797 0.915421 O\n0.206274 0.949443 0.705135 O\n0.719314 0.964131 0.761253 O\n",
            "nsites": 37,
            "nelements": 4,
            "elements": [
                "Fe",
                "Cu",
                "P",
                "O"
            ],
            "chemical_system": "Cu-Fe-O-P",
            "density": 3.830896838381653,
            "density_atomic": 0.08744574318425216,
            "volume": 423.1195099118697,
            "volume_molar": 6.886716883760797,
            "formula_full": "Fe5 Cu2 P6 O24",
            "formula_reduced": "Fe5Cu2(PO4)6",
            "formula_anonymous": "A2B5C6D24",
            "energy": -283.14911288,
            "energy_per_atom": -7.652678726486487,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -255.38111288,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 26.000464,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:20.331000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-706426",
            "created_at": "2022-09-04T14:46:34.178124Z",
            "structure_string": "Ca4 P4 H8 O18\n1.0\n6.747473 0.000000 0.000000\n2.164926 7.083607 0.000000\n1.836116 0.177427 8.134702\nCa P H O\n4 4 8 18\ndirect\n0.310507 0.247958 0.495081 Ca\n0.689493 0.752042 0.504919 Ca\n0.257216 0.866584 0.244615 Ca\n0.742784 0.133416 0.755385 Ca\n0.261274 0.990253 0.812716 P\n0.738726 0.009747 0.187284 P\n0.166613 0.712314 0.644016 P\n0.833387 0.287686 0.355984 P\n0.098386 0.522483 0.262159 H\n0.901614 0.477517 0.737841 H\n0.327661 0.462470 0.150754 H\n0.672339 0.537530 0.849246 H\n0.342214 0.235213 0.976471 H\n0.657786 0.764787 0.023529 H\n0.317408 0.420818 0.866406 H\n0.682592 0.579182 0.133594 H\n0.253773 0.018846 0.991782 O\n0.746227 0.981154 0.008218 O\n0.480060 0.984758 0.701406 O\n0.519940 0.015242 0.298594 O\n0.092807 0.135547 0.736041 O\n0.907193 0.864453 0.263959 O\n0.222972 0.782895 0.805457 O\n0.777028 0.217105 0.194543 O\n0.178644 0.503446 0.681318 O\n0.821356 0.496554 0.318682 O\n0.339365 0.743036 0.499319 O\n0.660635 0.256964 0.500681 O\n0.942862 0.828866 0.628227 O\n0.057138 0.171134 0.371773 O\n0.249546 0.507667 0.262084 O\n0.750454 0.492333 0.737916 O\n0.408323 0.339065 0.937349 O\n0.591677 0.660935 0.062651 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Ca",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Ca-H-O-P",
            "density": 2.478188262457935,
            "density_atomic": 0.08744634364338759,
            "volume": 388.80985280132944,
            "volume_molar": 6.88666959542496,
            "formula_full": "Ca4 P4 H8 O18",
            "formula_reduced": "Ca2P2H4O9",
            "formula_anonymous": "A2B2C4D9",
            "energy": -231.68556358,
            "energy_per_atom": -6.814281281764706,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -219.31956358,
            "band_gap": 5.0576,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007526,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:39.608000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-21036",
            "created_at": "2022-09-04T14:42:02.546253Z",
            "structure_string": "Na2 Mn2 O4\n1.0\n2.921155 0.000000 0.000000\n0.000000 4.876415 0.000000\n0.000000 0.000000 6.422235\nNa Mn O\n2 2 4\ndirect\n0.250001 0.249999 0.123279 Na\n0.749999 0.749999 0.876720 Na\n0.250001 0.249999 0.624594 Mn\n0.749999 0.749999 0.375407 Mn\n0.749999 0.249999 0.418059 O\n0.250001 0.749999 0.581941 O\n0.749999 0.249999 0.828336 O\n0.250001 0.749999 0.171665 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Na",
                "Mn",
                "O"
            ],
            "chemical_system": "Mn-Na-O",
            "density": 3.990621074875962,
            "density_atomic": 0.08744772864491981,
            "volume": 91.48322230853908,
            "volume_molar": 6.886560524004931,
            "formula_full": "Na2 Mn2 O4",
            "formula_reduced": "NaMnO2",
            "formula_anonymous": "ABC2",
            "energy": -56.90094279,
            "energy_per_atom": -7.11261784875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -50.81694279,
            "band_gap": 0.6187999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0000462,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:31.197000Z",
            "spacegroup": 59
        },
        {
            "id": "mp-1271068",
            "created_at": "2022-09-04T14:39:35.204718Z",
            "structure_string": "Fe4\n1.0\n2.293357 0.088731 -0.865052\n-1.069886 2.030382 -0.865198\n2.269413 3.930027 6.418011\nFe\n4\ndirect\n0.999963 0.000038 0.499809 Fe\n0.500037 0.499962 0.750186 Fe\n0.999965 0.000036 0.999873 Fe\n0.500034 0.499965 0.250132 Fe\n",
            "nsites": 4,
            "nelements": 1,
            "elements": [
                "Fe"
            ],
            "chemical_system": "Fe",
            "density": 8.109373819647873,
            "density_atomic": 0.08744881481646513,
            "volume": 45.741043013505404,
            "volume_molar": 6.886474988413603,
            "formula_full": "Fe4",
            "formula_reduced": "Fe",
            "formula_anonymous": "A",
            "energy": -33.81180542,
            "energy_per_atom": -8.452951355,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.81180542,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.8097568,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.447000Z",
            "spacegroup": 139
        }
    ]
}