GET /third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12180
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=12181",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12179",
    "results": [
        {
            "id": "mp-26219",
            "created_at": "2022-09-04T14:44:29.462777Z",
            "structure_string": "Li4 Mn4 P4 O16\n1.0\n-0.000005 5.630592 0.000004\n0.000099 0.000006 8.499356\n6.324758 -0.000008 0.000075\nLi Mn P O\n4 4 4 16\ndirect\n0.249997 0.914374 0.253059 Li\n0.750006 0.414346 0.246960 Li\n0.249997 0.585633 0.753042 Li\n0.750008 0.085610 0.746945 Li\n0.250048 0.249945 0.497904 Mn\n0.750008 0.750099 0.502430 Mn\n0.749975 0.750002 0.001928 Mn\n0.250006 0.250239 0.997729 Mn\n0.249997 0.602893 0.252662 P\n0.750001 0.102891 0.247315 P\n0.249993 0.897099 0.752697 P\n0.750004 0.397095 0.747347 P\n0.250002 0.501004 0.051663 O\n0.749991 0.001030 0.448267 O\n0.249991 0.998953 0.551746 O\n0.749999 0.498969 0.948338 O\n0.749996 0.001740 0.045911 O\n0.249998 0.501709 0.454144 O\n0.749997 0.498272 0.545877 O\n0.249997 0.998247 0.954089 O\n0.971781 0.216738 0.247771 O\n0.528218 0.216741 0.247765 O\n0.028157 0.716777 0.252192 O\n0.471838 0.716776 0.252196 O\n0.528187 0.283187 0.747788 O\n0.971820 0.283191 0.747786 O\n0.028219 0.783219 0.752225 O\n0.471772 0.783220 0.752222 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "P",
                "O"
            ],
            "chemical_system": "Li-Mn-O-P",
            "density": 3.4419990533627174,
            "density_atomic": 0.09250688116869331,
            "volume": 302.68018601707996,
            "volume_molar": 6.509938162349427,
            "formula_full": "Li4 Mn4 P4 O16",
            "formula_reduced": "LiMnPO4",
            "formula_anonymous": "ABCD4",
            "energy": -218.27363478,
            "energy_per_atom": -7.795486956428571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -200.60963478,
            "band_gap": 3.2476000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:41.871000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-770575",
            "created_at": "2022-09-04T14:44:17.026914Z",
            "structure_string": "Li8 Cr8 P8 O32 F8\n1.0\n6.296726 0.000000 0.000000\n0.000000 10.575678 0.000000\n0.000000 0.000000 12.707536\nLi Cr P O F\n8 8 8 32 8\ndirect\n0.407510 0.705128 0.401285 Li\n0.305691 0.447973 0.641001 Li\n0.194309 0.447973 0.141001 Li\n0.092490 0.705128 0.901285 Li\n0.907510 0.205128 0.098715 Li\n0.805691 0.947973 0.858999 Li\n0.694309 0.947973 0.358999 Li\n0.592490 0.205128 0.598715 Li\n0.003530 0.247174 0.880840 Cr\n0.257518 0.001316 0.745417 Cr\n0.242482 0.001316 0.245417 Cr\n0.496470 0.247174 0.380840 Cr\n0.503530 0.747174 0.619160 Cr\n0.757518 0.501316 0.754583 Cr\n0.742482 0.501316 0.254583 Cr\n0.996470 0.747174 0.119160 Cr\n0.001681 0.251817 0.312577 P\n0.169743 0.988576 0.992574 P\n0.330257 0.988576 0.492574 P\n0.498319 0.251817 0.812577 P\n0.501681 0.751817 0.187423 P\n0.669743 0.488576 0.507426 P\n0.830257 0.488576 0.007426 P\n0.998319 0.751817 0.687423 P\n0.999328 0.096679 0.979268 O\n0.031891 0.863363 0.992806 O\n0.031187 0.868164 0.762942 O\n0.035931 0.142609 0.230751 O\n0.202806 0.006306 0.593053 O\n0.194245 0.724075 0.620490 O\n0.189601 0.271037 0.386644 O\n0.178237 0.985793 0.398139 O\n0.321763 0.985793 0.898139 O\n0.310399 0.271037 0.886644 O\n0.305755 0.724075 0.120490 O\n0.297194 0.006306 0.093053 O\n0.464069 0.142609 0.730751 O\n0.468813 0.868164 0.262942 O\n0.468109 0.863363 0.492806 O\n0.500672 0.096679 0.479268 O\n0.499328 0.596679 0.520732 O\n0.531891 0.363363 0.507194 O\n0.531187 0.368164 0.737058 O\n0.535931 0.642609 0.269249 O\n0.702806 0.506306 0.906947 O\n0.694245 0.224075 0.879510 O\n0.689601 0.771037 0.113356 O\n0.678237 0.485793 0.101861 O\n0.821763 0.485793 0.601861 O\n0.810399 0.771037 0.613356 O\n0.805755 0.224075 0.379510 O\n0.797194 0.506306 0.406947 O\n0.964069 0.642609 0.769249 O\n0.968813 0.368164 0.237058 O\n0.968109 0.363363 0.007194 O\n0.000672 0.596679 0.020732 O\n0.020498 0.121761 0.765432 F\n0.003324 0.881998 0.227929 F\n0.496676 0.881998 0.727929 F\n0.479502 0.121761 0.265432 F\n0.520498 0.621761 0.734568 F\n0.503324 0.381998 0.272071 F\n0.996676 0.381998 0.772071 F\n0.979502 0.621761 0.234568 F\n",
            "nsites": 64,
            "nelements": 5,
            "elements": [
                "Li",
                "Cr",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "Cr-F-Li-O-P",
            "density": 2.7143569456507617,
            "density_atomic": 0.07563026296883654,
            "volume": 846.222100620901,
            "volume_molar": 7.962607194003047,
            "formula_full": "Li8 Cr8 P8 O32 F8",
            "formula_reduced": "LiCrPO4F",
            "formula_anonymous": "ABCDE4",
            "energy": -482.45109965,
            "energy_per_atom": -7.53829843203125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -440.77909965,
            "band_gap": 2.2578,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:27.631000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-557679",
            "created_at": "2022-09-04T14:44:29.390461Z",
            "structure_string": "K12 Na12 Si24 O60\n1.0\n17.680216 0.000000 0.000000\n0.000000 7.372438 0.000000\n0.000000 7.090853 12.631367\nK Na Si O\n12 12 24 60\ndirect\n0.938518 0.502938 0.880840 K\n0.231224 0.780099 0.991029 K\n0.579675 0.144682 0.904375 K\n0.920325 0.144682 0.404375 K\n0.438518 0.497062 0.619160 K\n0.268776 0.780099 0.491029 K\n0.061482 0.497062 0.119160 K\n0.079675 0.855318 0.595625 K\n0.420325 0.855318 0.095625 K\n0.561482 0.502938 0.380840 K\n0.768776 0.219901 0.008971 K\n0.731224 0.219901 0.508971 K\n0.247156 0.221673 0.073955 Na\n0.589477 0.580550 0.986388 Na\n0.252844 0.221673 0.573955 Na\n0.910523 0.580550 0.486388 Na\n0.084268 0.067339 0.040641 Na\n0.584268 0.932661 0.459359 Na\n0.915732 0.932661 0.959359 Na\n0.410523 0.419450 0.013612 Na\n0.747156 0.778327 0.426045 Na\n0.415732 0.067339 0.540641 Na\n0.752844 0.778327 0.926045 Na\n0.089477 0.419450 0.513612 Na\n0.330527 0.256629 0.849639 Si\n0.829506 0.698480 0.255496 Si\n0.441708 0.931215 0.334229 Si\n0.805224 0.278094 0.744046 Si\n0.669473 0.743371 0.150361 Si\n0.194776 0.721906 0.255954 Si\n0.305224 0.721906 0.755954 Si\n0.571153 0.084756 0.168208 Si\n0.640504 0.458417 0.637635 Si\n0.329506 0.301520 0.244504 Si\n0.058292 0.931215 0.834229 Si\n0.941708 0.068785 0.165771 Si\n0.071153 0.915244 0.331792 Si\n0.859496 0.458417 0.137635 Si\n0.830527 0.743371 0.650361 Si\n0.140504 0.541583 0.862365 Si\n0.169473 0.256629 0.349639 Si\n0.359496 0.541583 0.362365 Si\n0.170494 0.301520 0.744504 Si\n0.558292 0.068785 0.665771 Si\n0.428847 0.915244 0.831792 Si\n0.670494 0.698480 0.755496 Si\n0.694776 0.278094 0.244046 Si\n0.928847 0.084756 0.668208 Si\n0.395723 0.142832 0.812453 O\n0.753506 0.803855 0.179579 O\n0.855009 0.229029 0.661137 O\n0.660978 0.804813 0.029346 O\n0.622107 0.900986 0.742608 O\n0.895723 0.857168 0.687547 O\n0.656247 0.492750 0.235148 O\n0.973441 0.018276 0.781680 O\n0.313791 0.453536 0.121886 O\n0.618515 0.591063 0.699016 O\n0.026559 0.981724 0.218320 O\n0.686209 0.546464 0.878114 O\n0.573292 0.274935 0.682892 O\n0.843753 0.492750 0.735148 O\n0.441411 0.876803 0.454921 O\n0.305222 0.901240 0.636269 O\n0.478775 0.792894 0.936368 O\n0.926708 0.274935 0.182892 O\n0.355009 0.770971 0.838863 O\n0.839022 0.804813 0.529346 O\n0.073292 0.725065 0.817108 O\n0.381485 0.408937 0.300984 O\n0.058589 0.876803 0.954921 O\n0.639150 0.594985 0.511965 O\n0.339022 0.195187 0.970654 O\n0.278486 0.661010 0.314572 O\n0.221514 0.661010 0.814572 O\n0.604277 0.857168 0.187547 O\n0.139150 0.405015 0.988035 O\n0.104277 0.142832 0.312453 O\n0.426708 0.725065 0.317108 O\n0.805222 0.098760 0.863731 O\n0.253506 0.196145 0.320421 O\n0.186209 0.453536 0.621886 O\n0.360850 0.405015 0.488035 O\n0.778486 0.338990 0.185428 O\n0.860850 0.594985 0.011965 O\n0.941411 0.123197 0.045079 O\n0.558589 0.123197 0.545079 O\n0.978775 0.207106 0.563632 O\n0.021225 0.792894 0.436368 O\n0.160978 0.195187 0.470654 O\n0.377893 0.099014 0.257392 O\n0.521225 0.207106 0.063632 O\n0.881485 0.591063 0.199016 O\n0.122107 0.099014 0.757392 O\n0.194778 0.901240 0.136269 O\n0.721514 0.338990 0.685428 O\n0.746494 0.803855 0.679579 O\n0.644991 0.229029 0.161137 O\n0.118515 0.408937 0.800984 O\n0.526559 0.018276 0.281680 O\n0.343753 0.507250 0.764852 O\n0.813791 0.546464 0.378114 O\n0.877893 0.900986 0.242608 O\n0.246494 0.196145 0.820421 O\n0.156247 0.507250 0.264852 O\n0.144991 0.770971 0.338863 O\n0.694778 0.098760 0.363731 O\n0.473441 0.981724 0.718320 O\n",
            "nsites": 108,
            "nelements": 4,
            "elements": [
                "K",
                "Na",
                "Si",
                "O"
            ],
            "chemical_system": "K-Na-O-Si",
            "density": 2.399428349892621,
            "density_atomic": 0.06559559962856165,
            "volume": 1646.4519054868829,
            "volume_molar": 9.180708453159468,
            "formula_full": "K12 Na12 Si24 O60",
            "formula_reduced": "KNaSi2O5",
            "formula_anonymous": "ABC2D5",
            "energy": -770.74709452,
            "energy_per_atom": -7.136547171481482,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -729.52709452,
            "band_gap": 4.0021,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:41.693000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-634",
            "created_at": "2022-09-04T14:44:25.084010Z",
            "structure_string": "Hg3 S3\n1.0\n2.218746 -3.842981 0.000000\n2.218746 3.842981 0.000000\n0.000000 0.000000 9.757700\nHg S\n3 3\ndirect\n0.760710 0.760710 0.000000 Hg\n0.000000 0.239290 0.666667 Hg\n0.239290 0.000000 0.333333 Hg\n0.454895 0.454895 0.500000 S\n0.000000 0.545105 0.166667 S\n0.545105 0.000000 0.833333 S\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Hg",
                "S"
            ],
            "chemical_system": "Hg-S",
            "density": 6.96513375128853,
            "density_atomic": 0.03605769562397684,
            "volume": 166.3999846959231,
            "volume_molar": 16.701402171678247,
            "formula_full": "Hg3 S3",
            "formula_reduced": "HgS",
            "formula_anonymous": "AB",
            "energy": -15.57150148,
            "energy_per_atom": -2.5952502466666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.06250148,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:38.131000Z",
            "spacegroup": 152
        },
        {
            "id": "mp-1214634",
            "created_at": "2022-09-04T14:44:16.776303Z",
            "structure_string": "Ba6 Dy2 B18 O36\n1.0\n3.637033 -6.299526 0.000000\n3.637033 6.299526 0.000000\n0.000000 0.000000 17.502855\nBa Dy B O\n6 2 18 36\ndirect\n0.666667 0.333333 0.867724 Ba\n0.333333 0.666667 0.132276 Ba\n0.333333 0.666667 0.367724 Ba\n0.666667 0.333333 0.632276 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.550176 0.834963 0.918209 B\n0.449824 0.165037 0.081791 B\n0.284787 0.449824 0.918209 B\n0.449824 0.165037 0.418209 B\n0.715213 0.550176 0.081791 B\n0.550176 0.834963 0.581791 B\n0.165037 0.715213 0.918209 B\n0.715213 0.550176 0.418209 B\n0.834963 0.284787 0.081791 B\n0.284787 0.449824 0.581791 B\n0.834963 0.284787 0.418209 B\n0.165037 0.715213 0.581791 B\n0.504849 0.622154 0.750000 B\n0.495151 0.377846 0.250000 B\n0.117305 0.495151 0.750000 B\n0.882695 0.504849 0.250000 B\n0.377846 0.882695 0.750000 B\n0.622154 0.117305 0.250000 B\n0.542034 0.833047 0.750000 O\n0.457966 0.166953 0.250000 O\n0.291013 0.457966 0.750000 O\n0.708987 0.542034 0.250000 O\n0.166953 0.708987 0.750000 O\n0.833047 0.291013 0.250000 O\n0.919948 0.332795 0.750000 O\n0.080052 0.667205 0.250000 O\n0.412847 0.080052 0.750000 O\n0.587153 0.919948 0.250000 O\n0.667205 0.587153 0.750000 O\n0.332795 0.412847 0.250000 O\n0.749827 0.995068 0.919074 O\n0.250173 0.004932 0.080926 O\n0.245241 0.250173 0.919074 O\n0.250173 0.004932 0.419074 O\n0.754759 0.749827 0.080926 O\n0.749827 0.995068 0.580926 O\n0.004932 0.754759 0.919074 O\n0.754759 0.749827 0.419074 O\n0.995068 0.245241 0.080926 O\n0.245241 0.250173 0.580926 O\n0.995068 0.245241 0.419074 O\n0.004932 0.754759 0.580926 O\n0.496724 0.619856 0.918073 O\n0.503276 0.380144 0.081927 O\n0.123132 0.503276 0.918073 O\n0.503276 0.380144 0.418073 O\n0.876868 0.496724 0.081927 O\n0.496724 0.619856 0.581927 O\n0.380144 0.876868 0.918073 O\n0.876868 0.496724 0.418073 O\n0.619856 0.123132 0.081927 O\n0.123132 0.503276 0.581927 O\n0.619856 0.123132 0.418073 O\n0.380144 0.876868 0.581927 O\n",
            "nsites": 62,
            "nelements": 4,
            "elements": [
                "Ba",
                "Dy",
                "B",
                "O"
            ],
            "chemical_system": "B-Ba-Dy-O",
            "density": 3.9742199312230873,
            "density_atomic": 0.07730323782052057,
            "volume": 802.0362632668637,
            "volume_molar": 7.790282696802372,
            "formula_full": "Ba6 Dy2 B18 O36",
            "formula_reduced": "Ba3Dy(BO2)9",
            "formula_anonymous": "AB3C9D18",
            "energy": -513.33060929,
            "energy_per_atom": -8.279525956290323,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -488.59860929,
            "band_gap": 5.1786,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:38.134000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-756281",
            "created_at": "2022-09-04T14:44:21.238675Z",
            "structure_string": "Tm4 Al4 O12\n1.0\n5.155244 0.000000 0.000000\n0.000000 5.376706 0.000000\n0.000000 0.000000 7.389902\nTm Al O\n4 4 12\ndirect\n0.015817 0.938584 0.750000 Tm\n0.484183 0.438584 0.750000 Tm\n0.515817 0.561416 0.250000 Tm\n0.984183 0.061416 0.250000 Tm\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.096674 0.471102 0.250000 O\n0.200862 0.202214 0.550686 O\n0.200862 0.202214 0.949314 O\n0.299138 0.702214 0.949314 O\n0.299138 0.702214 0.550686 O\n0.403326 0.971102 0.250000 O\n0.596674 0.028898 0.750000 O\n0.700862 0.297786 0.050686 O\n0.700862 0.297786 0.449314 O\n0.799138 0.797786 0.050686 O\n0.799138 0.797786 0.449314 O\n0.903326 0.528898 0.750000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Tm",
                "Al",
                "O"
            ],
            "chemical_system": "Al-O-Tm",
            "density": 7.909363425489527,
            "density_atomic": 0.09763955722939344,
            "volume": 204.83501326221904,
            "volume_molar": 6.167726412207749,
            "formula_full": "Tm4 Al4 O12",
            "formula_reduced": "TmAlO3",
            "formula_anonymous": "ABC3",
            "energy": -167.80672847,
            "energy_per_atom": -8.390336423499999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -159.56272847,
            "band_gap": 5.7744,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:27.089000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1520258",
            "created_at": "2022-09-04T14:44:24.010416Z",
            "structure_string": "Ba1 Ca1 In1 Sb1 O6\n1.0\n0.000000 -4.138862 -4.138862\n4.138862 -0.000000 -4.138862\n4.138862 -4.138862 -0.000000\nBa Ca In Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n0.741130 0.258870 0.258870 O\n0.258870 0.741130 0.741130 O\n0.741130 0.258870 0.741130 O\n0.258870 0.741130 0.258870 O\n0.741130 0.741130 0.258870 O\n0.258870 0.258870 0.741130 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Ba",
                "Ca",
                "In",
                "Sb",
                "O"
            ],
            "chemical_system": "Ba-Ca-In-O-Sb",
            "density": 5.9721251063784315,
            "density_atomic": 0.07052241333545946,
            "volume": 141.7988909771454,
            "volume_molar": 8.539328810762637,
            "formula_full": "Ba1 Ca1 In1 Sb1 O6",
            "formula_reduced": "BaCaInSbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -65.15429373,
            "energy_per_atom": -6.515429373000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -61.03229372999999,
            "band_gap": 0.9295,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:45.450000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-625172",
            "created_at": "2022-09-04T14:44:28.933006Z",
            "structure_string": "H12 Cl4 O20\n1.0\n5.856808 0.000000 0.000000\n0.000000 6.950790 0.000000\n0.000000 0.287006 9.290900\nH Cl O\n12 4 20\ndirect\n0.137165 0.908662 0.145631 H\n0.862835 0.908662 0.145631 H\n0.000000 0.736635 0.242073 H\n0.000000 0.609629 0.592812 H\n0.000000 0.835871 0.679583 H\n0.000000 0.605020 0.771798 H\n0.500000 0.113374 0.915930 H\n0.500000 0.334173 0.821373 H\n0.500000 0.108081 0.736081 H\n0.500000 0.380194 0.413419 H\n0.500000 0.399263 0.232848 H\n0.500000 0.167766 0.316888 H\n0.500000 0.681338 0.935408 Cl\n0.500000 0.813592 0.422398 Cl\n0.000000 0.296743 0.074810 Cl\n0.000000 0.183745 0.571748 Cl\n0.500000 0.542318 0.816909 O\n0.500000 0.957747 0.298978 O\n0.000000 0.426544 0.193252 O\n0.000000 0.037014 0.693313 O\n0.500000 0.578926 0.074229 O\n0.500000 0.912461 0.556915 O\n0.000000 0.402142 0.937682 O\n0.000000 0.087768 0.436583 O\n0.298200 0.801434 0.920259 O\n0.702625 0.694066 0.408533 O\n0.796139 0.171385 0.084113 O\n0.202179 0.303576 0.587711 O\n0.203861 0.171385 0.084113 O\n0.797821 0.303576 0.587711 O\n0.701800 0.801434 0.920259 O\n0.297375 0.694066 0.408533 O\n0.000000 0.824494 0.156501 O\n0.000000 0.681715 0.681187 O\n0.500000 0.183262 0.823208 O\n0.500000 0.317272 0.320965 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "H",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-H-O",
            "density": 2.080551834601383,
            "density_atomic": 0.09518084594299471,
            "volume": 378.2273591218233,
            "volume_molar": 6.327051099763028,
            "formula_full": "H12 Cl4 O20",
            "formula_reduced": "H3ClO5",
            "formula_anonymous": "AB3C5",
            "energy": -174.66640689000002,
            "energy_per_atom": -4.851844635833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -160.92640689,
            "band_gap": 4.7936000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:43.017000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-24113",
            "created_at": "2022-09-04T14:44:21.357299Z",
            "structure_string": "Sn1 H8 N2 F6\n1.0\n3.143218 -5.444214 0.000000\n3.143218 5.444214 0.000000\n0.000000 0.000000 4.840694\nSn H N F\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.846770 H\n0.666667 0.333333 0.153230 H\n0.510666 0.755333 0.557473 H\n0.244667 0.755333 0.557473 H\n0.244667 0.489334 0.557473 H\n0.755333 0.244667 0.442527 H\n0.489334 0.244667 0.442527 H\n0.755333 0.510666 0.442527 H\n0.333333 0.666667 0.634875 N\n0.666667 0.333333 0.365125 N\n0.304971 0.152485 0.767268 F\n0.847515 0.152485 0.767268 F\n0.847515 0.695029 0.767268 F\n0.152485 0.847515 0.232732 F\n0.695029 0.847515 0.232732 F\n0.152485 0.304971 0.232732 F\n",
            "nsites": 17,
            "nelements": 4,
            "elements": [
                "Sn",
                "H",
                "N",
                "F"
            ],
            "chemical_system": "F-H-N-Sn",
            "density": 2.6939803969720044,
            "density_atomic": 0.10261281570663533,
            "volume": 165.67131388931097,
            "volume_molar": 5.86879983609161,
            "formula_full": "Sn1 H8 N2 F6",
            "formula_reduced": "SnH8(NF3)2",
            "formula_anonymous": "AB2C6D8",
            "energy": -86.50442668,
            "energy_per_atom": -5.088495687058823,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -83.01042668,
            "band_gap": 5.1263000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:39.023000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1518826",
            "created_at": "2022-09-04T14:44:26.113965Z",
            "structure_string": "Ba1 Ca1 Ce1 Ni1 O6\n1.0\n-0.000000 -4.084639 -4.084639\n4.084639 -0.000000 -4.084639\n4.084639 -4.084639 -0.000000\nBa Ca Ce Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.731725 0.268275 0.268275 O\n0.268275 0.731725 0.731725 O\n0.731725 0.268275 0.731725 O\n0.268275 0.731725 0.268275 O\n0.731725 0.731725 0.268275 O\n0.268275 0.268275 0.731725 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Ba",
                "Ca",
                "Ce",
                "Ni",
                "O"
            ],
            "chemical_system": "Ba-Ca-Ce-Ni-O",
            "density": 5.752994760396963,
            "density_atomic": 0.07336838600605,
            "volume": 136.29848691472364,
            "volume_molar": 8.20808673575484,
            "formula_full": "Ba1 Ca1 Ce1 Ni1 O6",
            "formula_reduced": "BaCaCeNiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -71.14501899999999,
            "energy_per_atom": -7.114501899999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.482019,
            "band_gap": 1.2559999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:35.628000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1519985",
            "created_at": "2022-09-04T14:44:21.550655Z",
            "structure_string": "Ba2 Sr2 Ca2 W2 O12\n1.0\n5.960198 0.009704 -0.045535\n0.001090 6.071408 0.034636\n-0.079194 0.032433 8.567914\nBa Sr Ca W O\n2 2 2 2 12\ndirect\n0.996754 0.041777 0.248333 Ba\n0.003246 0.958223 0.751667 Ba\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.513872 0.541875 0.243630 Ca\n0.486128 0.458125 0.756370 Ca\n0.500000 0.000000 -0.000000 W\n-0.000000 0.500000 0.500000 W\n0.226227 0.172082 0.974329 O\n0.260322 0.671795 0.573742 O\n0.773773 0.827918 0.025671 O\n0.739678 0.328205 0.426258 O\n0.342123 0.726681 0.935162 O\n0.171760 0.234109 0.548061 O\n0.657877 0.273319 0.064838 O\n0.828240 0.765891 0.451939 O\n0.430955 0.928864 0.218181 O\n0.125522 0.495214 0.285708 O\n0.569045 0.071136 0.781819 O\n0.874478 0.504786 0.714292 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "Ba",
                "Sr",
                "Ca",
                "W",
                "O"
            ],
            "chemical_system": "Ba-Ca-O-Sr-W",
            "density": 5.836871676106093,
            "density_atomic": 0.06451266843956145,
            "volume": 310.0166290398754,
            "volume_molar": 9.334818890094168,
            "formula_full": "Ba2 Sr2 Ca2 W2 O12",
            "formula_reduced": "BaSrCaWO6",
            "formula_anonymous": "ABCDE6",
            "energy": -155.49083012,
            "energy_per_atom": -7.774541506,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.37083012,
            "band_gap": 3.3675000000000006,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:38.684000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1030676",
            "created_at": "2022-09-04T14:44:30.166344Z",
            "structure_string": "Na1 Mg6 Bi1 O8\n1.0\n8.906477 0.000000 0.000000\n0.000000 4.470977 0.000000\n0.000000 0.000000 4.470977\nNa Mg Bi O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.266047 0.000000 0.500000 Mg\n0.733953 0.000000 0.500000 Mg\n0.266047 0.500000 0.000000 Mg\n0.733953 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.269579 0.000000 0.000000 O\n0.730421 0.000000 0.000000 O\n0.269657 0.500000 0.500000 O\n0.730343 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Na",
                "Mg",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mg-Na-O",
            "density": 4.717513201694196,
            "density_atomic": 0.08986884506442018,
            "volume": 178.0372273453699,
            "volume_molar": 6.701032772462116,
            "formula_full": "Na1 Mg6 Bi1 O8",
            "formula_reduced": "NaMg6BiO8",
            "formula_anonymous": "ABC6D8",
            "energy": -95.56307703,
            "energy_per_atom": -5.972692314375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -90.06707703,
            "band_gap": 4.2829,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:42.062000Z",
            "spacegroup": 123
        }
    ]
}