GET /third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12167
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=12168",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=12166",
    "results": [
        {
            "id": "mp-1521841",
            "created_at": "2022-09-04T14:48:02.014791Z",
            "structure_string": "Ba4 Zr8 Sn4 O24\n1.0\n8.455893 -0.000000 0.000000\n-0.000000 8.455893 0.000000\n0.000000 0.000000 8.455679\nBa Zr Sn O\n4 8 4 24\ndirect\n0.500000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.751434 0.751434 0.750000 Zr\n0.248566 0.751434 0.750000 Zr\n0.751434 0.751434 0.250000 Zr\n0.248566 0.751434 0.250000 Zr\n0.751434 0.248566 0.750000 Zr\n0.248566 0.248566 0.750000 Zr\n0.751434 0.248566 0.250000 Zr\n0.248566 0.248566 0.250000 Zr\n0.000000 -0.000000 0.000000 Sn\n0.500000 -0.000000 0.000000 Sn\n0.000000 -0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.750164 0.749971 O\n0.500000 0.750104 0.749956 O\n0.000000 0.750164 0.250029 O\n0.500000 0.750104 0.250044 O\n0.000000 0.249836 0.749971 O\n0.500000 0.249896 0.749956 O\n0.000000 0.249836 0.250029 O\n0.500000 0.249896 0.250044 O\n0.750164 -0.000000 0.750029 O\n0.249836 -0.000000 0.750029 O\n0.750164 -0.000000 0.249971 O\n0.249836 -0.000000 0.249971 O\n0.750104 0.500000 0.750044 O\n0.249896 0.500000 0.750044 O\n0.750104 0.500000 0.249956 O\n0.249896 0.500000 0.249956 O\n0.750136 0.750116 0.000000 O\n0.249864 0.750116 -0.000000 O\n0.750116 0.750136 0.500000 O\n0.249884 0.750136 0.500000 O\n0.750136 0.249884 0.000000 O\n0.249864 0.249884 -0.000000 O\n0.750116 0.249864 0.500000 O\n0.249884 0.249864 0.500000 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Ba",
                "Zr",
                "Sn",
                "O"
            ],
            "chemical_system": "Ba-O-Sn-Zr",
            "density": 5.871840361394836,
            "density_atomic": 0.06615955052652722,
            "volume": 604.5990288879256,
            "volume_molar": 9.102451138305986,
            "formula_full": "Ba4 Zr8 Sn4 O24",
            "formula_reduced": "BaZr2SnO6",
            "formula_anonymous": "ABC2D6",
            "energy": -337.00574571,
            "energy_per_atom": -8.42514364275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -320.51774571,
            "band_gap": 2.9585000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:24.327000Z",
            "spacegroup": 131
        },
        {
            "id": "mp-1516247",
            "created_at": "2022-09-04T14:47:56.605245Z",
            "structure_string": "K1 Ca1 Zr1 Sb1 O6\n1.0\n0.000000 -4.086583 -4.086583\n4.086583 0.000000 -4.086583\n4.086583 -4.086583 0.000000\nK Ca Zr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sb\n0.756129 0.243871 0.243871 O\n0.243871 0.756129 0.756129 O\n0.756129 0.243871 0.756129 O\n0.243871 0.756129 0.243871 O\n0.756129 0.756129 0.243871 O\n0.243871 0.243871 0.756129 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "K",
                "Ca",
                "Zr",
                "Sb",
                "O"
            ],
            "chemical_system": "Ca-K-O-Sb-Zr",
            "density": 4.722209131498714,
            "density_atomic": 0.07326373111135298,
            "volume": 136.49318494032303,
            "volume_molar": 8.219811724913376,
            "formula_full": "K1 Ca1 Zr1 Sb1 O6",
            "formula_reduced": "KCaZrSbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -73.47502787,
            "energy_per_atom": -7.347502787000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.35302787,
            "band_gap": 3.2186000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:18.254000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-629015",
            "created_at": "2022-09-04T14:47:58.181599Z",
            "structure_string": "B2 N2\n1.0\n1.257972 -2.178872 0.000000\n1.257972 2.178872 0.000000\n0.000000 0.000000 7.258253\nB N\n2 2\ndirect\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.250000 B\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "B",
                "N"
            ],
            "chemical_system": "B-N",
            "density": 2.071456573253225,
            "density_atomic": 0.10052988848015028,
            "volume": 39.78916181519294,
            "volume_molar": 5.990398329337725,
            "formula_full": "B2 N2",
            "formula_reduced": "BN",
            "formula_anonymous": "AB",
            "energy": -35.86306476,
            "energy_per_atom": -8.96576619,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -35.14106476,
            "band_gap": 3.9745,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:24.837000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-708965",
            "created_at": "2022-09-04T14:48:01.310431Z",
            "structure_string": "H32 C12 N16 O16\n1.0\n8.708945 0.000000 0.000000\n0.000000 8.587950 0.000000\n0.000000 0.153344 10.166033\nH C N O\n32 12 16 16\ndirect\n0.467864 0.318959 0.414314 H\n0.967864 0.181041 0.585686 H\n0.532136 0.681041 0.585686 H\n0.032136 0.818959 0.414314 H\n0.455823 0.228440 0.575714 H\n0.955823 0.271560 0.424286 H\n0.544177 0.771560 0.424286 H\n0.044177 0.728440 0.575714 H\n0.609852 0.361801 0.536331 H\n0.109852 0.138199 0.463669 H\n0.390148 0.638199 0.463669 H\n0.890148 0.861801 0.536331 H\n0.667362 0.005098 0.118124 H\n0.167362 0.494902 0.881876 H\n0.332638 0.994902 0.881876 H\n0.832638 0.505098 0.118124 H\n0.825752 0.874605 0.161743 H\n0.325752 0.625395 0.838257 H\n0.174248 0.125395 0.838257 H\n0.674248 0.374605 0.161743 H\n0.293134 0.280030 0.235451 H\n0.793134 0.219970 0.764549 H\n0.706866 0.719970 0.764549 H\n0.206866 0.780030 0.235451 H\n0.293732 0.070526 0.220026 H\n0.793732 0.429474 0.779974 H\n0.706268 0.929474 0.779974 H\n0.206268 0.570526 0.220026 H\n0.340147 0.195776 0.080481 H\n0.840147 0.304224 0.919519 H\n0.659853 0.804224 0.919519 H\n0.159853 0.695776 0.080481 H\n0.773604 0.989600 0.174507 C\n0.273604 0.510400 0.825493 C\n0.226396 0.010400 0.825493 C\n0.726396 0.489600 0.174507 C\n0.532317 0.272463 0.498390 C\n0.032317 0.227537 0.501610 C\n0.467683 0.727537 0.501610 C\n0.967683 0.772463 0.498390 C\n0.271294 0.181938 0.170303 C\n0.771294 0.318062 0.829697 C\n0.728706 0.818062 0.829697 C\n0.228706 0.681938 0.170303 C\n0.628348 0.139816 0.458104 N\n0.128348 0.360184 0.541896 N\n0.371652 0.860184 0.541896 N\n0.871652 0.639816 0.458104 N\n0.108000 0.194024 0.131613 N\n0.608000 0.305976 0.868387 N\n0.892000 0.805976 0.868387 N\n0.392000 0.694024 0.131613 N\n0.644007 0.123321 0.333558 N\n0.144007 0.376679 0.666442 N\n0.355993 0.876679 0.666442 N\n0.855993 0.623321 0.333558 N\n0.022820 0.079360 0.169700 N\n0.522820 0.420640 0.830300 N\n0.977180 0.920640 0.830300 N\n0.477180 0.579360 0.169700 N\n0.872345 0.111224 0.128748 O\n0.372345 0.388776 0.871252 O\n0.127655 0.888776 0.871252 O\n0.627655 0.611224 0.128748 O\n0.744240 0.998706 0.312671 O\n0.244240 0.501294 0.687329 O\n0.255760 0.001294 0.687329 O\n0.755760 0.498706 0.312671 O\n0.690056 0.057109 0.547942 O\n0.190056 0.442891 0.452058 O\n0.309944 0.942891 0.452058 O\n0.809944 0.557109 0.547942 O\n0.064629 0.313992 0.068231 O\n0.564629 0.186008 0.931769 O\n0.935371 0.686008 0.931769 O\n0.435371 0.813992 0.068231 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O",
            "density": 1.4337191291448668,
            "density_atomic": 0.09995557505475337,
            "volume": 760.3377796422955,
            "volume_molar": 6.024817281778639,
            "formula_full": "H32 C12 N16 O16",
            "formula_reduced": "H8C3(NO)4",
            "formula_anonymous": "A3B4C4D8",
            "energy": -450.74206856,
            "energy_per_atom": -5.930816691578947,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -439.75006855999993,
            "band_gap": 3.3614,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:29.936000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1221844",
            "created_at": "2022-09-04T14:47:59.329509Z",
            "structure_string": "Na4 Ca2 Pb6 C10 O30\n1.0\n9.285580 5.330045 0.000000\n-9.285580 5.330045 0.000000\n0.000000 0.111226 6.718069\nNa Ca Pb C O\n4 2 6 10 30\ndirect\n0.477098 0.523962 0.181793 Na\n0.476209 0.951119 0.180723 Na\n0.523962 0.477098 0.681793 Na\n0.951119 0.476209 0.680723 Na\n0.045933 0.523079 0.174807 Ca\n0.523079 0.045933 0.674807 Ca\n0.151526 0.841678 0.498176 Pb\n0.163387 0.316064 0.505981 Pb\n0.682861 0.832561 0.496594 Pb\n0.841678 0.151526 0.998176 Pb\n0.832561 0.682861 0.996594 Pb\n0.316064 0.163387 0.005981 Pb\n0.668442 0.332637 0.997179 C\n0.332637 0.668442 0.497179 C\n0.000177 0.000719 0.653405 C\n0.000719 0.000177 0.153405 C\n0.205855 0.795310 0.949715 C\n0.203497 0.409285 0.951575 C\n0.590445 0.796817 0.949648 C\n0.795310 0.205855 0.449715 C\n0.796817 0.590445 0.449648 C\n0.409285 0.203497 0.451575 C\n0.085762 0.388551 0.863364 O\n0.618253 0.706890 0.854097 O\n0.299303 0.913594 0.854856 O\n0.088277 0.699899 0.861131 O\n0.613072 0.915122 0.854021 O\n0.293343 0.381391 0.857232 O\n0.915122 0.613072 0.354021 O\n0.381391 0.293343 0.357232 O\n0.699899 0.088277 0.361131 O\n0.913594 0.299303 0.354856 O\n0.388551 0.085762 0.363364 O\n0.706890 0.618253 0.354097 O\n0.598498 0.402390 0.001266 O\n0.597829 0.191355 0.985769 O\n0.809497 0.402823 0.005312 O\n0.402390 0.598498 0.501266 O\n0.402823 0.809497 0.505312 O\n0.191355 0.597829 0.485769 O\n0.070569 0.930243 0.152867 O\n0.070860 0.140907 0.149545 O\n0.859773 0.929828 0.148394 O\n0.930243 0.070569 0.652867 O\n0.929828 0.859773 0.648394 O\n0.140907 0.070860 0.649545 O\n0.228944 0.771089 0.129535 O\n0.228718 0.458347 0.129632 O\n0.543928 0.772284 0.128183 O\n0.771089 0.228944 0.629535 O\n0.772284 0.543928 0.628183 O\n0.458347 0.228718 0.629632 O\n",
            "nsites": 52,
            "nelements": 5,
            "elements": [
                "Na",
                "Ca",
                "Pb",
                "C",
                "O"
            ],
            "chemical_system": "C-Ca-Na-O-Pb",
            "density": 5.032651561736218,
            "density_atomic": 0.07819679912718935,
            "volume": 664.9888560709562,
            "volume_molar": 7.701262490558999,
            "formula_full": "Na4 Ca2 Pb6 C10 O30",
            "formula_reduced": "Na2CaPb3(CO3)5",
            "formula_anonymous": "AB2C3D5E15",
            "energy": -378.56902894,
            "energy_per_atom": -7.280173633461539,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -357.95902894,
            "band_gap": 3.7438,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:28.800000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-634896",
            "created_at": "2022-09-04T14:47:58.813962Z",
            "structure_string": "Y2 O2 F2\n1.0\n2.037065 3.562007 0.000000\n-2.037065 3.562007 0.000000\n0.000000 1.447381 5.165336\nY O F\n2 2 2\ndirect\n0.211323 0.211323 0.767476 Y\n0.788677 0.788677 0.232524 Y\n0.877244 0.877244 0.826586 O\n0.122756 0.122756 0.173414 O\n0.597590 0.597590 0.648370 F\n0.402410 0.402410 0.351630 F\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Y",
                "O",
                "F"
            ],
            "chemical_system": "F-O-Y",
            "density": 5.489527639620946,
            "density_atomic": 0.08004293814429422,
            "volume": 74.95976708380867,
            "volume_molar": 7.523637811925175,
            "formula_full": "Y2 O2 F2",
            "formula_reduced": "YOF",
            "formula_anonymous": "ABC",
            "energy": -50.23945736,
            "energy_per_atom": -8.373242893333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.94145736,
            "band_gap": 4.8674,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:24.154000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-775205",
            "created_at": "2022-09-04T14:47:59.501723Z",
            "structure_string": "Li12 Mn4 P8 H4 O32\n1.0\n-2.276739 6.193602 4.668286\n-2.140372 -6.384862 4.573279\n8.016228 -0.126265 4.925001\nLi Mn P H O\n12 4 8 4 32\ndirect\n0.250275 0.750133 0.999923 Li\n0.750253 0.250136 0.999905 Li\n0.500169 0.000034 0.499868 Li\n0.000359 0.500172 0.499861 Li\n0.628835 0.869205 0.123378 Li\n0.128798 0.369120 0.123281 Li\n0.878876 0.119181 0.623270 Li\n0.378769 0.619179 0.623389 Li\n0.121202 0.880587 0.376737 Li\n0.621194 0.380650 0.376653 Li\n0.371141 0.130590 0.876820 Li\n0.871242 0.630567 0.876704 Li\n0.499950 0.500171 0.000003 Mn\n0.749915 0.750111 0.500224 Mn\n0.999947 0.000159 0.999995 Mn\n0.250018 0.250151 0.500029 Mn\n0.355214 0.105732 0.181259 P\n0.855163 0.605696 0.181329 P\n0.605119 0.355661 0.681363 P\n0.105221 0.855705 0.681292 P\n0.394639 0.644341 0.318861 P\n0.894667 0.144328 0.318856 P\n0.644694 0.894344 0.818829 P\n0.144603 0.394388 0.818805 P\n0.124545 0.624753 0.249465 H\n0.624685 0.124835 0.249648 H\n0.374717 0.874849 0.749644 H\n0.874430 0.374713 0.749388 H\n0.342315 0.285210 0.125677 O\n0.842331 0.785163 0.125700 O\n0.592302 0.535139 0.625741 O\n0.092355 0.035179 0.625687 O\n0.407862 0.464869 0.374352 O\n0.907814 0.964858 0.374376 O\n0.657849 0.714876 0.874352 O\n0.157819 0.214916 0.874343 O\n0.544999 0.085471 0.148637 O\n0.044991 0.585434 0.148681 O\n0.794965 0.335428 0.648712 O\n0.295000 0.835479 0.648637 O\n0.205086 0.664533 0.351566 O\n0.705054 0.164496 0.351537 O\n0.455099 0.914519 0.851525 O\n0.955075 0.414521 0.851594 O\n0.237701 0.974127 0.102066 O\n0.737598 0.474099 0.102203 O\n0.487633 0.224066 0.602185 O\n0.987609 0.724053 0.602212 O\n0.512528 0.775987 0.397826 O\n0.012480 0.275996 0.397839 O\n0.762570 0.026033 0.897744 O\n0.262574 0.526067 0.897690 O\n0.433498 0.676169 0.153869 O\n0.933456 0.176045 0.153863 O\n0.683468 0.926107 0.653831 O\n0.183436 0.426100 0.653793 O\n0.316437 0.073869 0.346193 O\n0.816500 0.573920 0.346260 O\n0.566440 0.323869 0.846295 O\n0.066516 0.823914 0.846235 O\n",
            "nsites": 60,
            "nelements": 5,
            "elements": [
                "Li",
                "Mn",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-Li-Mn-O-P",
            "density": 2.938738094567583,
            "density_atomic": 0.09953159462738127,
            "volume": 602.8236584033782,
            "volume_molar": 6.050481540605501,
            "formula_full": "Li12 Mn4 P8 H4 O32",
            "formula_reduced": "Li3MnP2HO8",
            "formula_anonymous": "ABC2D3E8",
            "energy": -425.57891191,
            "energy_per_atom": -7.092981865166666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -396.92291191,
            "band_gap": 4.174,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:28.887000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1210710",
            "created_at": "2022-09-04T14:48:01.929969Z",
            "structure_string": "Rb8 Ta4 Cu4 Se8\n1.0\n5.649379 0.000000 0.000000\n2.824689 6.289533 0.000000\n2.824689 0.000000 22.865906\nRb Ta Cu Se\n8 4 4 8\ndirect\n0.617879 0.262993 0.590319 Rb\n0.791802 0.737007 0.590319 Rb\n0.119127 0.262993 0.409681 Rb\n0.132121 0.237007 0.909681 Rb\n0.471191 0.737007 0.409681 Rb\n0.958198 0.762993 0.909681 Rb\n0.630873 0.237007 0.090319 Rb\n0.278809 0.762993 0.090319 Rb\n0.875000 0.250000 0.250000 Ta\n0.875000 0.750000 0.250000 Ta\n0.875000 0.250000 0.750000 Ta\n0.375000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Cu\n0.375000 0.750000 0.250000 Cu\n0.375000 0.250000 0.750000 Cu\n0.875000 0.750000 0.750000 Cu\n0.108938 0.221460 0.151788 Se\n0.739274 0.778540 0.151788 Se\n0.669601 0.221460 0.848212 Se\n0.641062 0.278540 0.348212 Se\n0.482186 0.778540 0.848212 Se\n0.010726 0.721460 0.348212 Se\n0.080399 0.278540 0.651788 Se\n0.267814 0.721460 0.651788 Se\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Rb",
                "Ta",
                "Cu",
                "Se"
            ],
            "chemical_system": "Cu-Rb-Se-Ta",
            "density": 4.687280962856242,
            "density_atomic": 0.029539539217592142,
            "volume": 812.4703578892289,
            "volume_molar": 20.386711910568806,
            "formula_full": "Rb8 Ta4 Cu4 Se8",
            "formula_reduced": "Rb2TaCuSe2",
            "formula_anonymous": "ABC2D2",
            "energy": -103.01007332,
            "energy_per_atom": -4.292086388333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -99.23407332,
            "band_gap": 0.0112,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:26.878000Z",
            "spacegroup": 70
        },
        {
            "id": "mp-1200606",
            "created_at": "2022-09-04T14:47:55.025248Z",
            "structure_string": "Mg2 H20 S2 O18\n1.0\n6.119295 0.000000 0.000000\n2.162458 5.942505 0.000000\n1.569911 2.165873 10.299529\nMg H S O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.723526 0.573415 0.201622 H\n0.276474 0.426585 0.798378 H\n0.727277 0.393918 0.122285 H\n0.272723 0.606082 0.877715 H\n0.908132 0.190690 0.389612 H\n0.091868 0.809310 0.610388 H\n0.360478 0.672763 0.377760 H\n0.639522 0.327237 0.622240 H\n0.444433 0.397908 0.392548 H\n0.555567 0.602092 0.607452 H\n0.349821 0.645935 0.129607 H\n0.650179 0.354065 0.870393 H\n0.099331 0.663240 0.204238 H\n0.900669 0.336760 0.795762 H\n0.233119 0.278756 0.012409 H\n0.766881 0.721244 0.987591 H\n0.265426 0.094832 0.146642 H\n0.734574 0.905168 0.853358 H\n0.816568 0.861193 0.628681 H\n0.183432 0.138807 0.371319 H\n0.340247 0.029174 0.713252 S\n0.659753 0.970826 0.286748 S\n0.341342 0.442632 0.873210 O\n0.658658 0.557368 0.126790 O\n0.313069 0.533492 0.409545 O\n0.686931 0.466508 0.590455 O\n0.180045 0.696150 0.118514 O\n0.819955 0.303850 0.881486 O\n0.158659 0.177256 0.076793 O\n0.841341 0.822744 0.923207 O\n0.420772 0.950940 0.293335 O\n0.579228 0.049060 0.706665 O\n0.659868 0.127316 0.370635 O\n0.340132 0.872684 0.629365 O\n0.826698 0.734150 0.329951 O\n0.173302 0.265850 0.670049 O\n0.728434 0.062156 0.149523 O\n0.271566 0.937844 0.850477 O\n0.964159 0.754674 0.598122 O\n0.035841 0.245326 0.401878 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Mg",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "H-Mg-O-S",
            "density": 1.866067419208825,
            "density_atomic": 0.11214011046653208,
            "volume": 374.53146626366834,
            "volume_molar": 5.370193354497624,
            "formula_full": "Mg2 H20 S2 O18",
            "formula_reduced": "MgH10SO9",
            "formula_anonymous": "ABC9D10",
            "energy": -235.46925952,
            "energy_per_atom": -5.606410940952381,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -223.10325952,
            "band_gap": 5.4366,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:17.787000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-24367",
            "created_at": "2022-09-04T14:47:57.450102Z",
            "structure_string": "Na8 As4 H60 O44\n1.0\n11.026778 0.000000 0.000000\n0.000000 9.490859 0.000000\n0.000000 8.429496 10.609459\nNa As H O\n8 4 60 44\ndirect\n0.603114 0.831086 0.521651 Na\n0.103114 0.168914 0.978349 Na\n0.396886 0.168914 0.478349 Na\n0.896886 0.831086 0.021651 Na\n0.896281 0.844217 0.520715 Na\n0.396281 0.155783 0.979285 Na\n0.103719 0.155783 0.479285 Na\n0.603719 0.844217 0.020715 Na\n0.766522 0.294844 0.103974 As\n0.266522 0.705156 0.396026 As\n0.233478 0.705156 0.896026 As\n0.733478 0.294844 0.603974 As\n0.554729 0.412770 0.630523 H\n0.054729 0.587230 0.869477 H\n0.445271 0.587230 0.369477 H\n0.945271 0.412770 0.130523 H\n0.887978 0.999974 0.647882 H\n0.387978 0.000026 0.852118 H\n0.112022 0.000026 0.352118 H\n0.612022 0.999974 0.147882 H\n0.001080 0.868704 0.719112 H\n0.501080 0.131296 0.780888 H\n0.998920 0.131296 0.280888 H\n0.498920 0.868704 0.219112 H\n0.747569 0.892852 0.813007 H\n0.247569 0.107148 0.686993 H\n0.252431 0.107148 0.186993 H\n0.752431 0.892852 0.313007 H\n0.747549 0.679272 0.912347 H\n0.247549 0.320728 0.587653 H\n0.252451 0.320728 0.087653 H\n0.752451 0.679272 0.412347 H\n0.971968 0.155154 0.781822 H\n0.471968 0.844846 0.718178 H\n0.028032 0.844846 0.218178 H\n0.528032 0.155154 0.281822 H\n0.091730 0.032550 0.832064 H\n0.591730 0.967450 0.667936 H\n0.908270 0.967450 0.167936 H\n0.408270 0.032550 0.332064 H\n0.741860 0.108373 0.499591 H\n0.241860 0.891627 0.000409 H\n0.258140 0.891627 0.500409 H\n0.758140 0.108373 0.999591 H\n0.723021 0.175483 0.358495 H\n0.223021 0.824517 0.141505 H\n0.276979 0.824517 0.641505 H\n0.776979 0.175483 0.858495 H\n0.911740 0.448406 0.404656 H\n0.411740 0.551594 0.095344 H\n0.088260 0.551594 0.595344 H\n0.588260 0.448406 0.904656 H\n0.049232 0.522255 0.371141 H\n0.549232 0.477745 0.128859 H\n0.950768 0.477745 0.628859 H\n0.450768 0.522255 0.871141 H\n0.508408 0.490773 0.275171 H\n0.008408 0.509227 0.224829 H\n0.491592 0.509227 0.724829 H\n0.991592 0.490773 0.775171 H\n0.597377 0.450743 0.384571 H\n0.097377 0.549257 0.115429 H\n0.402623 0.549257 0.615429 H\n0.902623 0.450743 0.884571 H\n0.730696 0.513829 0.187769 H\n0.230696 0.486171 0.312231 H\n0.269304 0.486171 0.812231 H\n0.769304 0.513829 0.687769 H\n0.756315 0.571762 0.271465 H\n0.256315 0.428238 0.228535 H\n0.243685 0.428238 0.728535 H\n0.743685 0.571762 0.771465 H\n0.750759 0.620022 0.683182 O\n0.250759 0.379978 0.816818 O\n0.249241 0.379978 0.316818 O\n0.749241 0.620022 0.183182 O\n0.987601 0.441533 0.865279 O\n0.487601 0.558467 0.634721 O\n0.012399 0.558467 0.134721 O\n0.512399 0.441533 0.365279 O\n0.507305 0.433012 0.880472 O\n0.007305 0.566988 0.619528 O\n0.492695 0.566988 0.119528 O\n0.992695 0.433012 0.380472 O\n0.825218 0.326957 0.690769 O\n0.325218 0.673043 0.809231 O\n0.174782 0.673043 0.309231 O\n0.674782 0.326957 0.190769 O\n0.752679 0.460304 0.444670 O\n0.252679 0.539696 0.055330 O\n0.247321 0.539696 0.555330 O\n0.747321 0.460304 0.944670 O\n0.743969 0.083561 0.646556 O\n0.243969 0.916439 0.853444 O\n0.256031 0.916439 0.353444 O\n0.756031 0.083561 0.146556 O\n0.579536 0.301124 0.639939 O\n0.079536 0.698876 0.860061 O\n0.420464 0.698876 0.360061 O\n0.920464 0.301124 0.139939 O\n0.962201 0.953254 0.635707 O\n0.462201 0.046746 0.864293 O\n0.037799 0.046746 0.364293 O\n0.537799 0.953254 0.135707 O\n0.747646 0.790385 0.904451 O\n0.247646 0.209615 0.595549 O\n0.252354 0.209615 0.095549 O\n0.752354 0.790385 0.404451 O\n0.023747 0.073805 0.855727 O\n0.523747 0.926195 0.644273 O\n0.976253 0.926195 0.144273 O\n0.476253 0.073805 0.355727 O\n0.745557 0.071865 0.445474 O\n0.245557 0.928135 0.054526 O\n0.254443 0.928135 0.554526 O\n0.754443 0.071865 0.945474 O\n",
            "nsites": 116,
            "nelements": 4,
            "elements": [
                "Na",
                "As",
                "H",
                "O"
            ],
            "chemical_system": "As-H-Na-O",
            "density": 1.8665312935890892,
            "density_atomic": 0.1044745713431941,
            "volume": 1110.318027713609,
            "volume_molar": 5.764216768324943,
            "formula_full": "Na8 As4 H60 O44",
            "formula_reduced": "Na2AsH15O11",
            "formula_anonymous": "AB2C11D15",
            "energy": -616.82923217,
            "energy_per_atom": -5.317493380775861,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -586.60123217,
            "band_gap": 4.1825,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:22.407000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1520975",
            "created_at": "2022-09-04T14:47:59.501612Z",
            "structure_string": "K1 La1 Tb1 Bi1 O6\n1.0\n0.000000 -4.301907 -4.301907\n4.301907 0.000000 -4.301907\n4.301907 -4.301907 0.000000\nK La Tb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.000000 0.000000 Bi\n0.756116 0.243884 0.243884 O\n0.243884 0.756116 0.756116 O\n0.756116 0.243884 0.756116 O\n0.243884 0.756116 0.243884 O\n0.756116 0.756116 0.243884 O\n0.243884 0.243884 0.756116 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "K",
                "La",
                "Tb",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-K-La-O-Tb",
            "density": 6.694334827762393,
            "density_atomic": 0.06280394896698759,
            "volume": 159.22565641941438,
            "volume_molar": 9.588793155611109,
            "formula_full": "K1 La1 Tb1 Bi1 O6",
            "formula_reduced": "KLaTbBiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -69.96920136,
            "energy_per_atom": -6.996920136,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -65.84720136,
            "band_gap": 1.9221,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:27.630000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-23375",
            "created_at": "2022-09-04T14:47:58.853672Z",
            "structure_string": "P12 N12 Cl24\n1.0\n6.553794 0.000000 0.000000\n0.000000 13.750480 0.000000\n0.000000 0.000000 14.740032\nP N Cl\n12 12 24\ndirect\n0.937979 0.350925 0.905485 P\n0.437979 0.649075 0.594515 P\n0.062021 0.850925 0.094515 P\n0.562021 0.149075 0.405485 P\n0.062021 0.649075 0.094515 P\n0.562021 0.350925 0.405485 P\n0.937979 0.149075 0.905485 P\n0.437979 0.850925 0.594515 P\n0.909825 0.750000 0.946194 P\n0.409825 0.250000 0.553806 P\n0.090175 0.250000 0.053806 P\n0.590175 0.750000 0.446194 P\n0.043862 0.349881 0.002802 N\n0.543863 0.650119 0.497198 N\n0.956137 0.849881 0.997198 N\n0.456137 0.150119 0.502802 N\n0.956137 0.650119 0.997198 N\n0.456137 0.349881 0.502802 N\n0.043862 0.150119 0.002802 N\n0.543863 0.849881 0.497198 N\n0.103390 0.750000 0.144768 N\n0.603390 0.250000 0.355232 N\n0.896610 0.250000 0.855232 N\n0.396610 0.750000 0.644768 N\n0.442163 0.750000 0.326096 Cl\n0.942163 0.250000 0.173904 Cl\n0.557837 0.250000 0.673904 Cl\n0.057837 0.750000 0.826096 Cl\n0.883626 0.750000 0.405936 Cl\n0.383626 0.250000 0.094064 Cl\n0.116374 0.250000 0.594064 Cl\n0.616374 0.750000 0.905936 Cl\n0.172323 0.924768 0.586394 Cl\n0.672323 0.075232 0.913606 Cl\n0.827677 0.424768 0.413606 Cl\n0.327677 0.575232 0.086394 Cl\n0.827677 0.075232 0.413606 Cl\n0.327677 0.924768 0.086394 Cl\n0.172323 0.575232 0.586394 Cl\n0.672323 0.424768 0.913606 Cl\n0.602039 0.936486 0.677864 Cl\n0.102039 0.063514 0.822136 Cl\n0.397961 0.436486 0.322136 Cl\n0.897961 0.563514 0.177864 Cl\n0.397961 0.063514 0.322136 Cl\n0.897961 0.936486 0.177864 Cl\n0.602039 0.563514 0.677864 Cl\n0.102039 0.436486 0.822136 Cl\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "P",
                "N",
                "Cl"
            ],
            "chemical_system": "Cl-N-P",
            "density": 1.7384170631997977,
            "density_atomic": 0.03613534170296046,
            "volume": 1328.339452123335,
            "volume_molar": 16.66551491197501,
            "formula_full": "P12 N12 Cl24",
            "formula_reduced": "PNCl2",
            "formula_anonymous": "ABC2",
            "energy": -255.69068125,
            "energy_per_atom": -5.326889192708333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -236.62268125000003,
            "band_gap": 4.0381,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:27.274000Z",
            "spacegroup": 62
        }
    ]
}