GET /third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12136
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=-total_magnetization&page=12137",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12135",
    "results": [
        {
            "id": "mp-3970",
            "created_at": "2022-09-04T14:41:34.812228Z",
            "structure_string": "K2 Ti1 F6\n1.0\n2.915017 -5.048958 0.000000\n2.915017 5.048958 0.000000\n0.000000 0.000000 4.755291\nK Ti F\n2 1 6\ndirect\n0.333333 0.666667 0.694530 K\n0.666667 0.333333 0.305470 K\n0.000000 0.000000 0.000000 Ti\n0.311417 0.155708 0.777261 F\n0.844292 0.155708 0.777261 F\n0.844292 0.688583 0.777261 F\n0.155708 0.311417 0.222739 F\n0.688583 0.844292 0.222739 F\n0.155708 0.844292 0.222739 F\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "K",
                "Ti",
                "F"
            ],
            "chemical_system": "F-K-Ti",
            "density": 2.847791142623334,
            "density_atomic": 0.06429727467648666,
            "volume": 139.97482856441,
            "volume_molar": 9.36609022746384,
            "formula_full": "K2 Ti1 F6",
            "formula_reduced": "K2TiF6",
            "formula_anonymous": "AB2C6",
            "energy": -53.44991888,
            "energy_per_atom": -5.938879875555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -50.67791888,
            "band_gap": 4.7349,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:25.672000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1519971",
            "created_at": "2022-09-04T14:41:47.243342Z",
            "structure_string": "Sr1 Ca1 Nb4 O12\n1.0\n0.000000 -3.917763 -4.042554\n0.000000 -3.917763 4.042554\n-7.970764 0.000000 0.000000\nSr Ca Nb O\n1 1 4 12\ndirect\n0.026367 0.973633 0.500000 Sr\n0.485651 0.514349 -0.000000 Ca\n0.518451 0.991862 0.248695 Nb\n0.518451 0.991862 0.751305 Nb\n0.008138 0.481549 0.751305 Nb\n0.008138 0.481549 0.248695 Nb\n0.213438 0.222730 0.253792 O\n0.777270 0.786562 0.253792 O\n0.777270 0.786562 0.746208 O\n0.213438 0.222730 0.746208 O\n0.267799 0.732201 0.276867 O\n0.701268 0.298732 0.204309 O\n0.701268 0.298732 0.795691 O\n0.267799 0.732201 0.723133 O\n0.476323 0.950951 -0.000000 O\n0.534104 0.036621 0.500000 O\n0.049049 0.523677 -0.000000 O\n0.963379 0.465896 0.500000 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Sr",
                "Ca",
                "Nb",
                "O"
            ],
            "chemical_system": "Ca-Nb-O-Sr",
            "density": 4.546759368919838,
            "density_atomic": 0.0712932755235744,
            "volume": 252.47822978827756,
            "volume_molar": 8.446996881225735,
            "formula_full": "Sr1 Ca1 Nb4 O12",
            "formula_reduced": "SrCaNb4O12",
            "formula_anonymous": "ABC4D12",
            "energy": -160.30723638,
            "energy_per_atom": -8.905957576666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -152.06323638,
            "band_gap": 1.6939999999999995,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:25.613000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1201514",
            "created_at": "2022-09-04T14:41:47.211414Z",
            "structure_string": "K8 Ru4 O20\n1.0\n6.718642 0.000000 0.000000\n0.000000 8.047159 0.000000\n0.000000 0.000000 10.603032\nK Ru O\n8 4 20\ndirect\n0.377723 0.609260 0.457829 K\n0.877723 0.890740 0.542171 K\n0.622277 0.109260 0.042171 K\n0.122277 0.390740 0.957829 K\n0.025254 0.753437 0.194344 K\n0.525254 0.746563 0.805656 K\n0.974746 0.253437 0.305656 K\n0.474746 0.246563 0.694344 K\n0.415276 0.062966 0.381280 Ru\n0.915276 0.437034 0.618720 Ru\n0.584724 0.562966 0.118720 Ru\n0.084724 0.937034 0.881280 Ru\n0.989980 0.531235 0.468041 O\n0.489980 0.968765 0.531959 O\n0.010020 0.031235 0.031959 O\n0.510020 0.468765 0.968041 O\n0.204292 0.921736 0.378449 O\n0.704292 0.578264 0.621551 O\n0.795708 0.421736 0.121551 O\n0.295708 0.078264 0.878449 O\n0.654981 0.633043 0.275458 O\n0.154981 0.866957 0.724542 O\n0.345019 0.133043 0.224542 O\n0.845019 0.366957 0.775458 O\n0.338845 0.521468 0.178332 O\n0.838845 0.978532 0.821668 O\n0.661155 0.021468 0.321668 O\n0.161155 0.478532 0.678332 O\n0.635019 0.759211 0.049661 O\n0.135019 0.740789 0.950339 O\n0.364981 0.259211 0.450339 O\n0.864981 0.240789 0.549661 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "K",
                "Ru",
                "O"
            ],
            "chemical_system": "K-O-Ru",
            "density": 3.003976154095658,
            "density_atomic": 0.05582077004531033,
            "volume": 573.2633206963152,
            "volume_molar": 10.788351280556974,
            "formula_full": "K8 Ru4 O20",
            "formula_reduced": "K2RuO5",
            "formula_anonymous": "AB2C5",
            "energy": -193.68522323,
            "energy_per_atom": -6.0526632259375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -179.94522323,
            "band_gap": 0.9515,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:25.665000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-695850",
            "created_at": "2022-09-04T14:41:53.367792Z",
            "structure_string": "Cd1 Cl2\n1.0\n1.956762 3.399917 0.000000\n-1.956762 3.399917 0.000000\n0.000000 0.727766 6.283038\nCd Cl\n1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.193915 0.193915 0.271126 Cl\n0.806085 0.806085 0.728874 Cl\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Cd",
                "Cl"
            ],
            "chemical_system": "Cd-Cl",
            "density": 3.6412109152756544,
            "density_atomic": 0.035885190150749084,
            "volume": 83.5999471480403,
            "volume_molar": 16.781688308468638,
            "formula_full": "Cd1 Cl2",
            "formula_reduced": "CdCl2",
            "formula_anonymous": "AB2",
            "energy": -9.10283989,
            "energy_per_atom": -3.0342799633333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -7.874839889999999,
            "band_gap": 3.5155000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:34.070000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1233983",
            "created_at": "2022-09-04T14:41:34.990893Z",
            "structure_string": "Mg1 H4 C4 S4 O12 F12\n1.0\n-5.277831 -0.034071 1.066249\n0.382136 -0.244993 -9.033752\n-0.125546 -11.798350 -0.327663\nMg H C S O F\n1 4 4 4 12 12\ndirect\n0.913725 0.478237 0.841812 Mg\n0.511162 0.514232 0.741737 H\n0.954691 0.942280 0.771272 H\n0.502235 0.489311 0.249766 H\n0.989692 0.975350 0.257376 H\n0.510628 0.872391 0.956005 C\n0.879298 0.232489 0.554967 C\n0.568202 0.259861 0.058636 C\n0.080852 0.757232 0.445773 C\n0.599985 0.759878 0.813735 S\n0.046992 0.248332 0.693743 S\n0.439215 0.252619 0.209246 S\n0.931242 0.733852 0.302335 S\n0.675081 0.580399 0.765410 O\n0.109632 0.101951 0.715908 O\n0.365909 0.408052 0.213804 O\n0.845979 0.887234 0.284770 O\n0.894866 0.836905 0.811540 O\n0.261823 0.380264 0.675215 O\n0.205162 0.135681 0.208361 O\n0.697771 0.615632 0.318521 O\n0.466933 0.810510 0.719368 O\n0.851529 0.276291 0.775241 O\n0.643770 0.239834 0.282314 O\n0.126757 0.721095 0.222909 O\n0.263949 0.837077 0.983930 F\n0.792680 0.358714 0.531402 F\n0.724972 0.164971 0.054795 F\n0.183058 0.638057 0.471180 F\n0.216766 0.535852 0.910052 F\n0.681634 0.109074 0.559332 F\n0.710175 0.404651 0.024507 F\n0.266857 0.887306 0.440087 F\n0.630072 0.828196 0.046423 F\n0.047978 0.219531 0.472482 F\n0.379358 0.220491 0.985399 F\n0.904372 0.764737 0.525092 F\n",
            "nsites": 37,
            "nelements": 6,
            "elements": [
                "Mg",
                "H",
                "C",
                "S",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-Mg-O-S",
            "density": 1.8613657577009608,
            "density_atomic": 0.06640078137291247,
            "volume": 557.222358456971,
            "volume_molar": 9.069382370937989,
            "formula_full": "Mg1 H4 C4 S4 O12 F12",
            "formula_reduced": "MgH4C4S4(OF)12",
            "formula_anonymous": "AB4C4D4E12F12",
            "energy": -212.27780704,
            "energy_per_atom": -5.737238028108108,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -198.48980704,
            "band_gap": 2.4907,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.903000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-34337",
            "created_at": "2022-09-04T14:41:46.961491Z",
            "structure_string": "H4 N1 Cl1\n1.0\n3.877115 0.000000 0.000000\n0.000000 3.877115 0.000000\n0.000000 0.000000 3.877115\nH N Cl\n4 1 1\ndirect\n0.155153 0.155153 0.844847 H\n0.155153 0.844847 0.155153 H\n0.844847 0.155153 0.155153 H\n0.844847 0.844847 0.844847 H\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 Cl\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "H",
                "N",
                "Cl"
            ],
            "chemical_system": "Cl-H-N",
            "density": 1.5240790751255149,
            "density_atomic": 0.10294972755966945,
            "volume": 58.28087302632649,
            "volume_molar": 5.849593683003756,
            "formula_full": "H4 N1 Cl1",
            "formula_reduced": "H4NCl",
            "formula_anonymous": "ABC4",
            "energy": -28.33227497,
            "energy_per_atom": -4.722045828333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -27.35727497,
            "band_gap": 4.9364,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:39.386000Z",
            "spacegroup": 215
        },
        {
            "id": "mp-1519348",
            "created_at": "2022-09-04T14:41:34.884444Z",
            "structure_string": "Ba4 Sr4 Pr4 Nb4 O24\n1.0\n8.608726 0.000000 0.000000\n0.000000 8.626495 0.000000\n0.000000 0.000000 8.615055\nBa Sr Pr Nb O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.252288 0.250360 0.251805 Pr\n0.747712 0.749640 0.251805 Pr\n0.747712 0.250360 0.748195 Pr\n0.252288 0.749640 0.748195 Pr\n0.746231 0.749075 0.750388 Nb\n0.253769 0.250925 0.750388 Nb\n0.253769 0.749075 0.249612 Nb\n0.746231 0.250925 0.249612 Nb\n0.979364 0.218155 0.275720 O\n0.020636 0.781845 0.275720 O\n0.020636 0.218155 0.724280 O\n0.979364 0.781845 0.724280 O\n0.288091 0.980505 0.212814 O\n0.288091 0.019495 0.787186 O\n0.711909 0.019495 0.212814 O\n0.711909 0.980505 0.787186 O\n0.221373 0.279330 0.981485 O\n0.778627 0.279330 0.018515 O\n0.221373 0.720670 0.018515 O\n0.778627 0.720670 0.981485 O\n0.519420 0.297731 0.214063 O\n0.480580 0.702269 0.214063 O\n0.480580 0.297731 0.785937 O\n0.519420 0.702269 0.785937 O\n0.216062 0.520422 0.294842 O\n0.216062 0.479578 0.705158 O\n0.783938 0.479578 0.294842 O\n0.783938 0.520422 0.705158 O\n0.293947 0.210659 0.521729 O\n0.706053 0.210659 0.478271 O\n0.293947 0.789341 0.478271 O\n0.706053 0.789341 0.521729 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Ba",
                "Sr",
                "Pr",
                "Nb",
                "O"
            ],
            "chemical_system": "Ba-Nb-O-Pr-Sr",
            "density": 5.759448533520651,
            "density_atomic": 0.06252139747064417,
            "volume": 639.7809648893614,
            "volume_molar": 9.63212756533088,
            "formula_full": "Ba4 Sr4 Pr4 Nb4 O24",
            "formula_reduced": "BaSrPrNbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -326.46712924,
            "energy_per_atom": -8.161678231,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -309.97912924,
            "band_gap": 2.962,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:20.283000Z",
            "spacegroup": 16
        },
        {
            "id": "mp-1197430",
            "created_at": "2022-09-04T14:41:32.968185Z",
            "structure_string": "Cs8 Na4 As28\n1.0\n11.264267 0.000000 0.000000\n0.000000 10.371299 0.000000\n0.000000 0.002918 12.083831\nCs Na As\n8 4 28\ndirect\n0.303383 0.459027 0.986791 Cs\n0.803383 0.040973 0.013209 Cs\n0.696617 0.540973 0.013209 Cs\n0.196617 0.959027 0.986791 Cs\n0.997923 0.356419 0.733169 Cs\n0.497923 0.143581 0.266831 Cs\n0.002077 0.643581 0.266831 Cs\n0.502077 0.856419 0.733169 Cs\n0.190948 0.054198 0.460134 Na\n0.690948 0.445802 0.539866 Na\n0.809052 0.945802 0.539866 Na\n0.309052 0.554198 0.460134 Na\n0.499430 0.176015 0.903176 As\n0.999430 0.323985 0.096824 As\n0.500570 0.823985 0.096824 As\n0.000570 0.676015 0.903176 As\n0.650417 0.283680 0.789765 As\n0.150417 0.216320 0.210235 As\n0.349583 0.716320 0.210235 As\n0.849583 0.783680 0.789765 As\n0.335076 0.185309 0.778519 As\n0.835076 0.314691 0.221481 As\n0.664924 0.814691 0.221481 As\n0.164924 0.685309 0.778519 As\n0.955531 0.984898 0.744211 As\n0.455531 0.515102 0.255789 As\n0.044469 0.015102 0.255789 As\n0.544469 0.484898 0.744211 As\n0.364807 0.396946 0.670899 As\n0.864807 0.103054 0.329101 As\n0.635193 0.603054 0.329101 As\n0.135193 0.896946 0.670899 As\n0.424760 0.184534 0.585069 As\n0.924760 0.315466 0.414931 As\n0.575240 0.815466 0.414931 As\n0.075240 0.684534 0.585069 As\n0.135053 0.331371 0.387067 As\n0.635053 0.168629 0.612933 As\n0.864947 0.668629 0.612933 As\n0.364947 0.831371 0.387067 As\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Cs",
                "Na",
                "As"
            ],
            "chemical_system": "As-Cs-Na",
            "density": 3.826426954450439,
            "density_atomic": 0.02833474166896279,
            "volume": 1411.6945362454128,
            "volume_molar": 21.253558018481996,
            "formula_full": "Cs8 Na4 As28",
            "formula_reduced": "Cs2NaAs7",
            "formula_anonymous": "AB2C7",
            "energy": -157.23329451,
            "energy_per_atom": -3.9308323627500004,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -157.23329451,
            "band_gap": 1.4374,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:29.690000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-555119",
            "created_at": "2022-09-04T14:41:49.259055Z",
            "structure_string": "Sr2 Ta2 F14\n1.0\n7.332690 0.000000 0.000000\n0.000000 4.969835 0.000000\n0.000000 0.539577 6.806766\nSr Ta F\n2 2 14\ndirect\n0.250000 0.028054 0.685216 Sr\n0.750000 0.971946 0.314784 Sr\n0.250000 0.464379 0.220579 Ta\n0.750000 0.535621 0.779421 Ta\n0.250000 0.652335 0.952545 F\n0.527300 0.325666 0.782449 F\n0.750000 0.347665 0.047455 F\n0.027300 0.674334 0.217551 F\n0.250000 0.172930 0.046283 F\n0.076779 0.192248 0.359284 F\n0.423221 0.192248 0.359284 F\n0.576779 0.807752 0.640716 F\n0.972700 0.325666 0.782449 F\n0.750000 0.827070 0.953717 F\n0.472700 0.674334 0.217551 F\n0.750000 0.418954 0.505085 F\n0.923221 0.807752 0.640716 F\n0.250000 0.581046 0.494915 F\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Sr",
                "Ta",
                "F"
            ],
            "chemical_system": "F-Sr-Ta",
            "density": 5.376254959050624,
            "density_atomic": 0.07256486455950036,
            "volume": 248.05393228896202,
            "volume_molar": 8.298976090642434,
            "formula_full": "Sr2 Ta2 F14",
            "formula_reduced": "SrTaF7",
            "formula_anonymous": "ABC7",
            "energy": -123.28428076,
            "energy_per_atom": -6.849126708888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -116.81628076,
            "band_gap": 5.4935,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:25.595000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-768656",
            "created_at": "2022-09-04T14:41:45.291293Z",
            "structure_string": "Na2 Sb2 C2 S2 O14\n1.0\n6.805912 0.000000 0.000000\n0.000000 5.844262 0.000000\n0.000000 0.706483 8.999766\nNa Sb C S O\n2 2 2 2 14\ndirect\n0.499500 0.243513 0.783773 Na\n0.999500 0.756487 0.216227 Na\n0.757287 0.794315 0.636810 Sb\n0.257287 0.205685 0.363190 Sb\n0.737796 0.723280 0.919121 C\n0.237796 0.276720 0.080879 C\n0.257202 0.726891 0.598287 S\n0.757202 0.273109 0.401713 S\n0.253123 0.305041 0.945641 O\n0.746204 0.932656 0.840627 O\n0.716244 0.556269 0.825963 O\n0.081026 0.782139 0.689436 O\n0.420414 0.875390 0.651103 O\n0.719678 0.203924 0.563793 O\n0.309376 0.483628 0.615942 O\n0.809376 0.516372 0.384058 O\n0.219678 0.796076 0.436207 O\n0.920414 0.124610 0.348897 O\n0.581026 0.217861 0.310564 O\n0.216244 0.443731 0.174037 O\n0.246204 0.067344 0.159373 O\n0.753122 0.694959 0.054359 O\n",
            "nsites": 22,
            "nelements": 5,
            "elements": [
                "Na",
                "Sb",
                "C",
                "S",
                "O"
            ],
            "chemical_system": "C-Na-O-S-Sb",
            "density": 2.790875146783725,
            "density_atomic": 0.06145758019673078,
            "volume": 357.97048841780276,
            "volume_molar": 9.798857587172536,
            "formula_full": "Na2 Sb2 C2 S2 O14",
            "formula_reduced": "NaSbCSO7",
            "formula_anonymous": "ABCDE7",
            "energy": -148.50223368,
            "energy_per_atom": -6.750101530909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.88423368,
            "band_gap": 3.8056,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:22.970000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-28015",
            "created_at": "2022-09-04T14:41:37.061465Z",
            "structure_string": "H8 O8\n1.0\n4.144839 0.000000 0.000000\n0.000000 4.144839 0.000000\n0.000000 0.000000 7.705038\nH O\n8 8\ndirect\n0.696493 0.073800 0.374853 H\n0.303507 0.926200 0.874853 H\n0.073800 0.696493 0.625147 H\n0.573800 0.803507 0.124853 H\n0.426200 0.196493 0.624853 H\n0.803507 0.573800 0.875147 H\n0.196493 0.426200 0.375147 H\n0.926200 0.303507 0.125147 H\n0.814279 0.949601 0.281325 O\n0.185721 0.050399 0.781325 O\n0.949601 0.814279 0.718675 O\n0.449601 0.685721 0.031325 O\n0.550399 0.314279 0.531325 O\n0.685721 0.449601 0.968675 O\n0.314279 0.550399 0.468675 O\n0.050399 0.185721 0.218675 O\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "H",
                "O"
            ],
            "chemical_system": "H-O",
            "density": 1.7068107207226153,
            "density_atomic": 0.12087315728880263,
            "volume": 132.3701668665041,
            "volume_molar": 4.982198608092348,
            "formula_full": "H8 O8",
            "formula_reduced": "HO",
            "formula_anonymous": "AB",
            "energy": -80.72846944999999,
            "energy_per_atom": -5.0455293406249995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.23246945,
            "band_gap": 4.4853,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:29.186000Z",
            "spacegroup": 92
        },
        {
            "id": "mp-754109",
            "created_at": "2022-09-04T14:41:49.338872Z",
            "structure_string": "Pr2 As2 O8\n1.0\n-2.599527 2.599527 5.926529\n2.599527 -2.599527 5.926529\n2.599527 2.599527 -5.926529\nPr As O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750000 0.500000 As\n0.500000 0.500000 0.000000 As\n0.307639 0.920852 0.882811 O\n0.038041 0.424829 0.117189 O\n0.174829 0.557639 0.886787 O\n0.670852 0.288041 0.113213 O\n0.442361 0.329148 0.617189 O\n0.711959 0.825171 0.382811 O\n0.575171 0.692361 0.613213 O\n0.079148 0.961959 0.386787 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Pr",
                "As",
                "O"
            ],
            "chemical_system": "As-O-Pr",
            "density": 5.801220946604149,
            "density_atomic": 0.07490868542253974,
            "volume": 160.19504190083205,
            "volume_molar": 8.039309094840904,
            "formula_full": "Pr2 As2 O8",
            "formula_reduced": "PrAsO4",
            "formula_anonymous": "ABC4",
            "energy": -91.77005576,
            "energy_per_atom": -7.647504646666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -86.27405576,
            "band_gap": 3.7516,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:25.984000Z",
            "spacegroup": 88
        }
    ]
}