GET /third-parties/MatprojStructure/?format=api&ordering=-volume&page=102
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=-volume&page=103",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=101",
    "results": [
        {
            "id": "mp-558964",
            "created_at": "2022-09-04T14:43:53.538135Z",
            "structure_string": "S80\n1.0\n9.558458 0.000000 0.000000\n0.000000 14.211921 0.000000\n0.000000 0.000000 19.746201\nS\n80\ndirect\n0.288747 0.984872 0.451132 S\n0.633266 0.730613 0.757640 S\n0.768448 0.302648 0.448571 S\n0.231552 0.697352 0.551429 S\n0.536058 0.801230 0.679223 S\n0.074754 0.101647 0.927019 S\n0.211253 0.984872 0.548868 S\n0.788747 0.015128 0.451132 S\n0.574754 0.398353 0.572981 S\n0.711253 0.515128 0.951132 S\n0.731552 0.802648 0.948571 S\n0.866734 0.230613 0.257640 S\n0.805176 0.405458 0.899713 S\n0.665911 0.794123 0.595782 S\n0.866734 0.730613 0.242360 S\n0.329281 0.474632 0.406237 S\n0.170719 0.474632 0.593763 S\n0.829281 0.525368 0.406237 S\n0.919563 0.090059 0.251169 S\n0.694824 0.905458 0.399713 S\n0.731552 0.302648 0.551429 S\n0.268448 0.697352 0.448571 S\n0.633266 0.230613 0.742360 S\n0.574754 0.898353 0.927019 S\n0.732893 0.024066 0.805773 S\n0.463942 0.198770 0.320777 S\n0.036058 0.198770 0.679223 S\n0.768448 0.802648 0.051429 S\n0.767107 0.524066 0.305773 S\n0.711253 0.015128 0.548868 S\n0.829281 0.025368 0.093763 S\n0.788747 0.515128 0.048868 S\n0.694824 0.405458 0.100287 S\n0.536058 0.301230 0.820777 S\n0.211253 0.484872 0.951132 S\n0.305176 0.094542 0.600287 S\n0.334089 0.205877 0.404218 S\n0.580437 0.090059 0.748831 S\n0.665911 0.294123 0.904218 S\n0.334089 0.705877 0.095782 S\n0.963942 0.301230 0.179223 S\n0.805176 0.905458 0.600287 S\n0.732893 0.524066 0.694227 S\n0.268448 0.197352 0.051429 S\n0.074754 0.601647 0.572981 S\n0.133266 0.269387 0.757640 S\n0.925246 0.898353 0.072981 S\n0.963942 0.801230 0.320777 S\n0.080437 0.909941 0.748831 S\n0.288747 0.484872 0.048868 S\n0.231552 0.197352 0.948571 S\n0.305176 0.594542 0.899713 S\n0.329281 0.974632 0.093763 S\n0.366734 0.269387 0.242360 S\n0.670719 0.525368 0.593763 S\n0.165911 0.205877 0.595782 S\n0.267107 0.975934 0.194227 S\n0.194824 0.594542 0.100287 S\n0.670719 0.025368 0.906237 S\n0.165911 0.705877 0.904218 S\n0.425246 0.101647 0.072981 S\n0.267107 0.475934 0.305773 S\n0.767107 0.024066 0.194227 S\n0.232893 0.975934 0.805773 S\n0.834089 0.794123 0.404218 S\n0.419563 0.909941 0.251169 S\n0.232893 0.475934 0.694227 S\n0.834089 0.294123 0.095782 S\n0.036058 0.698770 0.820777 S\n0.925246 0.398353 0.427019 S\n0.463942 0.698770 0.179223 S\n0.080437 0.409941 0.751169 S\n0.170719 0.974632 0.906237 S\n0.366734 0.769387 0.257640 S\n0.425246 0.601647 0.427019 S\n0.419563 0.409941 0.248831 S\n0.194824 0.094542 0.399713 S\n0.133266 0.769387 0.742360 S\n0.580437 0.590059 0.751169 S\n0.919563 0.590059 0.248831 S\n",
            "nsites": 80,
            "nelements": 1,
            "elements": [
                "S"
            ],
            "chemical_system": "S",
            "density": 1.587984117158156,
            "density_atomic": 0.029823994640497543,
            "volume": 2682.40391551604,
            "volume_molar": 20.192267443015925,
            "formula_full": "S80",
            "formula_reduced": "S",
            "formula_anonymous": "A",
            "energy": -329.78653417,
            "energy_per_atom": -4.122331677125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -329.78653417,
            "band_gap": 2.4879,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:12.096000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1096405",
            "created_at": "2022-09-04T14:46:33.921761Z",
            "structure_string": "Ba1 Sr2 Ca1\n1.0\n-7.789858 7.804859 11.027813\n7.789858 -7.804859 11.027813\n7.789858 7.804859 -11.027813\nBa Sr Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.741732 0.000000 0.741732 Sr\n0.258268 0.000000 0.258268 Sr\n0.000000 0.000000 0.000000 Ca\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Ba",
                "Sr",
                "Ca"
            ],
            "chemical_system": "Ba-Ca-Sr",
            "density": 0.21834479368707307,
            "density_atomic": 0.001491475089397117,
            "volume": 2681.908687872807,
            "volume_molar": 403.77079059592376,
            "formula_full": "Ba1 Sr2 Ca1",
            "formula_reduced": "BaSr2Ca",
            "formula_anonymous": "ABC2",
            "energy": -1.2566258,
            "energy_per_atom": -0.31415645,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1.2566258,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0025693,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:33.046000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1213414",
            "created_at": "2022-09-04T14:40:05.607379Z",
            "structure_string": "In8 Bi16 Pb16 Se52\n1.0\n4.199601 0.000000 0.000000\n0.000000 22.753171 0.000000\n0.000000 0.000000 28.039190\nIn Bi Pb Se\n8 16 16 52\ndirect\n0.000000 0.225294 0.338954 In\n0.000000 0.774706 0.661046 In\n0.000000 0.274706 0.838954 In\n0.000000 0.725294 0.161046 In\n0.000000 0.000000 0.500000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.153121 0.476151 Bi\n0.500000 0.846879 0.523849 Bi\n0.500000 0.346879 0.976151 Bi\n0.500000 0.653121 0.023849 Bi\n0.000000 0.021960 0.154966 Bi\n0.000000 0.978039 0.845034 Bi\n0.000000 0.478040 0.654966 Bi\n0.000000 0.521961 0.345034 Bi\n0.000000 0.358650 0.107672 Bi\n0.000000 0.641350 0.892328 Bi\n0.000000 0.141350 0.607672 Bi\n0.000000 0.858650 0.392328 Bi\n0.500000 0.384728 0.415704 Bi\n0.500000 0.615272 0.584296 Bi\n0.500000 0.115272 0.915704 Bi\n0.500000 0.884728 0.084296 Bi\n0.500000 0.032432 0.344296 Pb\n0.500000 0.967568 0.655704 Pb\n0.500000 0.467568 0.844296 Pb\n0.500000 0.532432 0.155704 Pb\n0.500000 0.372494 0.249298 Pb\n0.500000 0.627506 0.750702 Pb\n0.500000 0.127506 0.749298 Pb\n0.500000 0.872494 0.250702 Pb\n0.500000 0.167272 0.225372 Pb\n0.500000 0.832728 0.774628 Pb\n0.500000 0.332728 0.725372 Pb\n0.500000 0.667272 0.274628 Pb\n0.500000 0.186696 0.073034 Pb\n0.500000 0.813304 0.926966 Pb\n0.500000 0.313304 0.573034 Pb\n0.500000 0.686696 0.426966 Pb\n0.500000 0.291326 0.147350 Se\n0.500000 0.708674 0.852650 Se\n0.500000 0.208674 0.647350 Se\n0.500000 0.791326 0.352650 Se\n0.000000 0.150504 0.141935 Se\n0.000000 0.849496 0.858065 Se\n0.000000 0.349496 0.641935 Se\n0.000000 0.650504 0.358065 Se\n0.500000 0.436775 0.049391 Se\n0.500000 0.563225 0.950609 Se\n0.500000 0.063225 0.549391 Se\n0.500000 0.936775 0.450609 Se\n0.500000 0.027105 0.222096 Se\n0.500000 0.972895 0.777904 Se\n0.500000 0.472895 0.722096 Se\n0.500000 0.527105 0.277904 Se\n0.000000 0.393377 0.342109 Se\n0.000000 0.606623 0.657891 Se\n0.000000 0.106623 0.842109 Se\n0.000000 0.893377 0.157891 Se\n0.000000 0.382317 0.492131 Se\n0.000000 0.617683 0.507869 Se\n0.000000 0.117683 0.992131 Se\n0.000000 0.882317 0.007869 Se\n0.000000 0.119008 0.301287 Se\n0.000000 0.880992 0.698713 Se\n0.000000 0.380992 0.801287 Se\n0.000000 0.619008 0.198713 Se\n0.000000 0.272065 0.254083 Se\n0.000000 0.727935 0.745917 Se\n0.000000 0.227935 0.754083 Se\n0.000000 0.772065 0.245917 Se\n0.000000 0.277339 0.021777 Se\n0.000000 0.722661 0.978223 Se\n0.000000 0.222661 0.521777 Se\n0.000000 0.777339 0.478223 Se\n0.000000 0.439443 0.186119 Se\n0.000000 0.560557 0.813881 Se\n0.000000 0.060557 0.686119 Se\n0.000000 0.939443 0.313881 Se\n0.500000 0.008525 0.070392 Se\n0.500000 0.991475 0.929608 Se\n0.500000 0.491475 0.570392 Se\n0.500000 0.508525 0.429608 Se\n0.500000 0.245917 0.395204 Se\n0.500000 0.754083 0.604796 Se\n0.500000 0.254083 0.895204 Se\n0.500000 0.745917 0.104796 Se\n0.000000 0.078447 0.428726 Se\n0.000000 0.921552 0.571274 Se\n0.000000 0.421552 0.928726 Se\n0.000000 0.578448 0.071274 Se\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "In",
                "Bi",
                "Pb",
                "Se"
            ],
            "chemical_system": "Bi-In-Pb-Se",
            "density": 7.241042136978836,
            "density_atomic": 0.03433779492910139,
            "volume": 2679.2634818268343,
            "volume_molar": 17.537936761618365,
            "formula_full": "In8 Bi16 Pb16 Se52",
            "formula_reduced": "In2Bi4Pb4Se13",
            "formula_anonymous": "A2B4C4D13",
            "energy": -392.62133967,
            "energy_per_atom": -4.267623257282609,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -368.07733967,
            "band_gap": 0.9121,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0209598,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.678000Z",
            "spacegroup": 55
        },
        {
            "id": "mp-1199396",
            "created_at": "2022-09-04T14:48:28.821808Z",
            "structure_string": "Cu8 H96 C24 S24 N48 Cl8\n1.0\n13.840143 0.000000 0.000000\n0.000000 13.840143 0.000000\n0.000000 -0.000000 13.984672\nCu H C S N Cl\n8 96 24 24 48 8\ndirect\n0.471384 0.152564 0.338697 Cu\n0.528616 0.847436 0.838697 Cu\n0.652564 0.028616 0.588697 Cu\n0.347436 0.971384 0.088697 Cu\n0.847436 0.528616 0.161303 Cu\n0.152564 0.471384 0.661303 Cu\n0.028616 0.652564 0.411303 Cu\n0.971384 0.347436 0.911303 Cu\n0.519747 0.456435 0.375872 H\n0.480253 0.543565 0.875872 H\n0.956435 0.980253 0.625872 H\n0.043565 0.019747 0.125872 H\n0.543565 0.480253 0.124128 H\n0.456435 0.519747 0.624128 H\n0.980253 0.956435 0.374128 H\n0.019747 0.043565 0.874128 H\n0.539116 0.335287 0.340423 H\n0.460884 0.664713 0.840423 H\n0.835287 0.960884 0.590423 H\n0.164713 0.039116 0.090423 H\n0.664713 0.460884 0.159577 H\n0.335287 0.539116 0.659577 H\n0.960884 0.835287 0.409577 H\n0.039116 0.164713 0.909577 H\n0.494619 0.827333 0.404615 H\n0.505381 0.172667 0.904615 H\n0.327333 0.005381 0.654615 H\n0.672667 0.994619 0.154615 H\n0.172667 0.505381 0.095385 H\n0.827333 0.494619 0.595385 H\n0.005381 0.327333 0.345385 H\n0.994619 0.672667 0.845385 H\n0.501413 0.954705 0.406823 H\n0.498587 0.045295 0.906823 H\n0.454705 0.998587 0.656823 H\n0.545295 0.001413 0.156823 H\n0.045295 0.498587 0.093177 H\n0.954705 0.501413 0.593177 H\n0.998587 0.454705 0.343177 H\n0.001413 0.545295 0.843177 H\n0.638730 0.269860 0.020114 H\n0.361270 0.730140 0.520114 H\n0.769860 0.861270 0.270114 H\n0.230140 0.138730 0.770114 H\n0.730140 0.361270 0.479886 H\n0.269860 0.638730 0.979886 H\n0.861270 0.769860 0.729886 H\n0.138730 0.230140 0.229886 H\n0.718748 0.211269 0.098998 H\n0.281252 0.788731 0.598998 H\n0.711269 0.781252 0.348998 H\n0.288731 0.218748 0.848998 H\n0.788731 0.281252 0.401002 H\n0.211269 0.718748 0.901002 H\n0.781252 0.711269 0.651002 H\n0.218748 0.288731 0.151002 H\n0.412639 0.748968 0.292511 H\n0.587361 0.251032 0.792511 H\n0.248968 0.087361 0.542511 H\n0.751032 0.912639 0.042511 H\n0.251032 0.587361 0.207489 H\n0.748968 0.412639 0.707489 H\n0.087361 0.248968 0.457489 H\n0.912639 0.751032 0.957489 H\n0.349952 0.813312 0.201042 H\n0.650048 0.186688 0.701042 H\n0.313312 0.150048 0.451042 H\n0.686688 0.849952 0.951042 H\n0.186688 0.650048 0.298958 H\n0.813312 0.349952 0.798958 H\n0.150048 0.313312 0.548958 H\n0.849952 0.686688 0.048958 H\n0.485135 0.299923 0.064066 H\n0.514865 0.700077 0.564066 H\n0.799923 0.014865 0.314066 H\n0.200077 0.985135 0.814066 H\n0.700077 0.514865 0.435934 H\n0.299923 0.485135 0.935934 H\n0.014865 0.799923 0.685934 H\n0.985135 0.200077 0.185934 H\n0.443446 0.268326 0.180428 H\n0.556554 0.731674 0.680428 H\n0.768326 0.056554 0.430428 H\n0.231674 0.943446 0.930428 H\n0.731674 0.556554 0.319572 H\n0.268326 0.443446 0.819572 H\n0.056554 0.768326 0.569572 H\n0.943446 0.231674 0.069572 H\n0.369035 0.515151 0.396807 H\n0.630965 0.484849 0.896807 H\n0.015151 0.130965 0.646807 H\n0.984849 0.869035 0.146807 H\n0.484849 0.630965 0.103193 H\n0.515151 0.369035 0.603193 H\n0.130965 0.015151 0.353193 H\n0.869035 0.984849 0.853193 H\n0.268352 0.438215 0.386099 H\n0.731648 0.561785 0.886099 H\n0.938215 0.231648 0.636099 H\n0.061784 0.768352 0.136099 H\n0.561785 0.731648 0.113901 H\n0.438215 0.268352 0.613901 H\n0.231648 0.938215 0.363901 H\n0.768352 0.061784 0.863901 H\n0.583839 0.234116 0.152252 C\n0.416161 0.765884 0.652252 C\n0.734116 0.916161 0.402252 C\n0.265884 0.083839 0.902252 C\n0.765884 0.416161 0.347748 C\n0.234116 0.583839 0.847748 C\n0.916161 0.734116 0.597748 C\n0.083839 0.265884 0.097748 C\n0.425745 0.895969 0.294993 C\n0.574255 0.104031 0.794993 C\n0.395969 0.074255 0.544993 C\n0.604031 0.925745 0.044993 C\n0.104031 0.574255 0.205007 C\n0.895969 0.425745 0.705007 C\n0.074255 0.395969 0.455007 C\n0.925745 0.604031 0.955007 C\n0.398011 0.374273 0.358726 C\n0.601989 0.625727 0.858726 C\n0.874273 0.101989 0.608726 C\n0.125727 0.898011 0.108726 C\n0.625727 0.601989 0.141274 C\n0.374273 0.398011 0.641274 C\n0.101989 0.874273 0.391274 C\n0.898011 0.125727 0.891274 C\n0.395826 0.006002 0.243110 S\n0.604174 0.993998 0.743110 S\n0.506002 0.104174 0.493110 S\n0.493998 0.895826 0.993110 S\n0.993998 0.604174 0.256890 S\n0.006002 0.395826 0.756890 S\n0.104174 0.506002 0.506890 S\n0.895826 0.493998 0.006890 S\n0.348135 0.264378 0.326249 S\n0.651865 0.735622 0.826249 S\n0.764378 0.151865 0.576249 S\n0.235622 0.848135 0.076249 S\n0.735622 0.651865 0.173751 S\n0.264378 0.348135 0.673751 S\n0.151865 0.764378 0.423751 S\n0.848135 0.235622 0.923751 S\n0.610863 0.183497 0.261475 S\n0.389137 0.816503 0.761475 S\n0.683497 0.889137 0.511475 S\n0.316503 0.110863 0.011475 S\n0.816503 0.389137 0.238525 S\n0.183497 0.610863 0.738525 S\n0.889137 0.683497 0.488525 S\n0.110863 0.316503 0.988525 S\n0.493244 0.389878 0.358921 N\n0.506756 0.610122 0.858921 N\n0.889878 0.006756 0.608921 N\n0.110122 0.993244 0.108921 N\n0.610122 0.506756 0.141079 N\n0.389878 0.493244 0.641079 N\n0.006756 0.889878 0.391079 N\n0.993244 0.110122 0.891079 N\n0.477630 0.892748 0.375037 N\n0.522370 0.107252 0.875037 N\n0.392748 0.022370 0.625037 N\n0.607252 0.977630 0.125037 N\n0.107252 0.522370 0.124963 N\n0.892748 0.477630 0.624963 N\n0.022370 0.392748 0.374963 N\n0.977630 0.607252 0.874963 N\n0.652056 0.237399 0.084583 N\n0.347944 0.762601 0.584583 N\n0.737399 0.847944 0.334583 N\n0.262601 0.152056 0.834583 N\n0.762601 0.347944 0.415417 N\n0.237399 0.652056 0.915417 N\n0.847944 0.737399 0.665417 N\n0.152056 0.262601 0.165417 N\n0.398102 0.812186 0.256178 N\n0.601898 0.187814 0.756178 N\n0.312186 0.101898 0.506178 N\n0.687814 0.898102 0.006178 N\n0.187814 0.601898 0.243822 N\n0.812186 0.398102 0.743822 N\n0.101898 0.312186 0.493822 N\n0.898102 0.687814 0.993822 N\n0.497537 0.272054 0.130801 N\n0.502463 0.727946 0.630801 N\n0.772054 0.002463 0.380801 N\n0.227946 0.997537 0.880801 N\n0.727946 0.502463 0.369199 N\n0.272054 0.497537 0.869199 N\n0.002463 0.772054 0.619199 N\n0.997537 0.227946 0.119199 N\n0.340606 0.447810 0.382976 N\n0.659394 0.552190 0.882976 N\n0.947810 0.159394 0.632976 N\n0.052190 0.840606 0.132976 N\n0.552190 0.659394 0.117024 N\n0.447810 0.340606 0.617024 N\n0.159394 0.947810 0.367024 N\n0.840606 0.052190 0.867024 N\n0.531841 0.350033 0.910534 Cl\n0.468159 0.649967 0.410534 Cl\n0.850033 0.968159 0.160534 Cl\n0.149967 0.031841 0.660534 Cl\n0.649967 0.468159 0.589466 Cl\n0.350033 0.531841 0.089466 Cl\n0.968159 0.850033 0.839466 Cl\n0.031841 0.149967 0.339466 Cl\n",
            "nsites": 208,
            "nelements": 6,
            "elements": [
                "Cu",
                "H",
                "C",
                "S",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-Cu-H-N-S",
            "density": 1.6234291994726844,
            "density_atomic": 0.07764793231659214,
            "volume": 2678.7577440172695,
            "volume_molar": 7.755700094428868,
            "formula_full": "Cu8 H96 C24 S24 N48 Cl8",
            "formula_reduced": "CuH12C3S3N6Cl",
            "formula_anonymous": "ABC3D3E6F12",
            "energy": -1185.52114635,
            "energy_per_atom": -5.699620895913461,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1151.20914635,
            "band_gap": 2.7636000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:49.216000Z",
            "spacegroup": 96
        },
        {
            "id": "mp-1213455",
            "created_at": "2022-09-04T14:42:53.035467Z",
            "structure_string": "Cs4 Zr24 C4 Cl60\n1.0\n9.940119 0.000000 0.000000\n0.000000 14.242955 0.000000\n0.000000 0.000000 18.914564\nCs Zr C Cl\n4 24 4 60\ndirect\n0.829159 0.247469 0.750000 Cs\n0.170841 0.752531 0.250000 Cs\n0.829159 0.752531 0.750000 Cs\n0.170841 0.247469 0.250000 Cs\n0.115480 0.500000 0.750000 Zr\n0.884520 0.500000 0.250000 Zr\n0.079653 0.000000 0.112339 Zr\n0.920347 0.000000 0.887661 Zr\n0.079653 0.000000 0.387661 Zr\n0.920347 0.000000 0.612339 Zr\n0.341669 0.385263 0.663362 Zr\n0.658331 0.614737 0.336638 Zr\n0.341669 0.614737 0.836638 Zr\n0.658331 0.385263 0.336638 Zr\n0.658331 0.385263 0.163362 Zr\n0.341669 0.614737 0.663362 Zr\n0.658331 0.614737 0.163362 Zr\n0.341669 0.385263 0.836638 Zr\n0.570272 0.500000 0.750000 Zr\n0.429728 0.500000 0.250000 Zr\n0.155213 0.114428 0.529585 Zr\n0.844787 0.885572 0.470415 Zr\n0.155213 0.885572 0.970415 Zr\n0.844787 0.114428 0.470415 Zr\n0.844787 0.114428 0.029585 Zr\n0.155213 0.885572 0.529585 Zr\n0.844787 0.885572 0.029585 Zr\n0.155213 0.114428 0.970415 Zr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.343208 0.500000 0.750000 C\n0.656792 0.500000 0.250000 C\n0.818639 0.000000 0.750000 Cl\n0.181361 0.000000 0.250000 Cl\n0.842182 0.500000 0.750000 Cl\n0.157818 0.500000 0.250000 Cl\n0.341657 0.500000 0.560155 Cl\n0.658343 0.500000 0.439845 Cl\n0.341657 0.500000 0.939845 Cl\n0.658343 0.500000 0.060155 Cl\n0.000000 0.251306 0.500000 Cl\n0.000000 0.748694 0.500000 Cl\n0.000000 0.748694 0.000000 Cl\n0.000000 0.251306 0.000000 Cl\n0.350024 0.247975 0.750000 Cl\n0.649976 0.752025 0.250000 Cl\n0.350024 0.752025 0.750000 Cl\n0.649976 0.247975 0.250000 Cl\n0.337533 0.249296 0.563407 Cl\n0.662467 0.750704 0.436593 Cl\n0.337533 0.750704 0.936593 Cl\n0.662467 0.249296 0.436593 Cl\n0.662467 0.249296 0.063407 Cl\n0.337533 0.750704 0.563407 Cl\n0.662467 0.750704 0.063407 Cl\n0.337533 0.249296 0.936593 Cl\n0.083203 0.123223 0.658223 Cl\n0.916797 0.876777 0.341777 Cl\n0.083203 0.876777 0.841777 Cl\n0.916797 0.123223 0.341777 Cl\n0.916797 0.123223 0.158223 Cl\n0.083203 0.876777 0.658223 Cl\n0.916797 0.876777 0.158223 Cl\n0.083203 0.123223 0.841777 Cl\n0.086295 0.375810 0.654737 Cl\n0.913705 0.624190 0.345263 Cl\n0.086295 0.624190 0.845263 Cl\n0.913705 0.375810 0.345263 Cl\n0.913705 0.375810 0.154737 Cl\n0.086295 0.624190 0.654737 Cl\n0.913705 0.624190 0.154737 Cl\n0.086295 0.375810 0.845263 Cl\n0.340136 0.000000 0.565316 Cl\n0.659864 0.000000 0.434684 Cl\n0.340136 0.000000 0.934684 Cl\n0.659864 0.000000 0.065316 Cl\n0.597864 0.376302 0.652744 Cl\n0.402136 0.623698 0.347256 Cl\n0.597864 0.623698 0.847256 Cl\n0.402136 0.376302 0.347256 Cl\n0.402136 0.376302 0.152744 Cl\n0.597864 0.623698 0.652744 Cl\n0.402136 0.623698 0.152744 Cl\n0.597864 0.376302 0.847256 Cl\n0.261259 0.125198 0.093538 Cl\n0.738741 0.874802 0.906462 Cl\n0.261259 0.874802 0.406462 Cl\n0.738741 0.125198 0.906462 Cl\n0.738741 0.125198 0.593538 Cl\n0.261259 0.874802 0.093538 Cl\n0.738741 0.874802 0.593538 Cl\n0.261259 0.125198 0.406462 Cl\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "Cs",
                "Zr",
                "C",
                "Cl"
            ],
            "chemical_system": "C-Cl-Cs-Zr",
            "density": 3.036141823053018,
            "density_atomic": 0.034355779499377806,
            "volume": 2677.860940447186,
            "volume_molar": 17.528755998998836,
            "formula_full": "Cs4 Zr24 C4 Cl60",
            "formula_reduced": "CsZr6CCl15",
            "formula_anonymous": "ABC6D15",
            "energy": -559.56805792,
            "energy_per_atom": -6.082261499130435,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -522.72805792,
            "band_gap": 1.1421,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0134557,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.557000Z",
            "spacegroup": 51
        },
        {
            "id": "mp-686295",
            "created_at": "2022-09-04T14:40:35.900824Z",
            "structure_string": "K18 Sn36 F90\n1.0\n7.392149 0.000000 0.000000\n-3.696075 6.401789 0.000000\n0.000000 0.000000 56.584950\nK Sn F\n18 36 90\ndirect\n0.333333 0.666667 0.056986 K\n0.333333 0.666667 0.224915 K\n0.333333 0.666667 0.392333 K\n0.333333 0.666667 0.556414 K\n0.333333 0.666667 0.722617 K\n0.333333 0.666667 0.889413 K\n0.666667 0.333333 0.061787 K\n0.666667 0.333333 0.229744 K\n0.000000 0.000000 0.223183 K\n0.666667 0.333333 0.396971 K\n0.666667 0.333333 0.559795 K\n0.000000 0.000000 0.390473 K\n0.000000 0.000000 0.553670 K\n0.666667 0.333333 0.893079 K\n0.666667 0.333333 0.725289 K\n0.000000 0.000000 0.054985 K\n0.000000 0.000000 0.719084 K\n0.000000 0.000000 0.886090 K\n0.992219 0.668365 0.999248 Sn\n0.992162 0.663384 0.166296 Sn\n0.019280 0.678456 0.333868 Sn\n0.000076 0.661609 0.501051 Sn\n0.001034 0.661742 0.667542 Sn\n0.022291 0.682769 0.832650 Sn\n0.328356 0.992861 0.112310 Sn\n0.327137 0.993355 0.278748 Sn\n0.328277 0.993949 0.446086 Sn\n0.328574 0.993726 0.612451 Sn\n0.326510 0.993555 0.779003 Sn\n0.327445 0.993528 0.945868 Sn\n0.007139 0.335494 0.112310 Sn\n0.006645 0.333782 0.278748 Sn\n0.006051 0.334328 0.446086 Sn\n0.006274 0.334848 0.612451 Sn\n0.006445 0.332955 0.779003 Sn\n0.006472 0.333917 0.945868 Sn\n0.676146 0.007781 0.999248 Sn\n0.671222 0.007838 0.166296 Sn\n0.659177 0.980720 0.333868 Sn\n0.661533 0.999924 0.501051 Sn\n0.660708 0.998966 0.667542 Sn\n0.660478 0.977709 0.832650 Sn\n0.331635 0.323854 0.999248 Sn\n0.336616 0.328778 0.166296 Sn\n0.338391 0.338467 0.501051 Sn\n0.321544 0.340823 0.333868 Sn\n0.338258 0.339292 0.667542 Sn\n0.317231 0.339522 0.832650 Sn\n0.664506 0.671644 0.112310 Sn\n0.666218 0.672863 0.278748 Sn\n0.665672 0.671723 0.446086 Sn\n0.665152 0.671426 0.612451 Sn\n0.667045 0.673490 0.779003 Sn\n0.666083 0.672555 0.945868 Sn\n0.216558 0.995873 0.008493 F\n0.217140 0.995759 0.174530 F\n0.225965 0.996757 0.341247 F\n0.223523 0.000628 0.674181 F\n0.223304 0.000093 0.507475 F\n0.225461 0.998432 0.842769 F\n0.308499 0.978678 0.075804 F\n0.309230 0.979457 0.409653 F\n0.309814 0.979673 0.242174 F\n0.308357 0.981500 0.742950 F\n0.308372 0.980350 0.576451 F\n0.306946 0.979459 0.910033 F\n0.021322 0.329821 0.075804 F\n0.020327 0.330140 0.242174 F\n0.020543 0.329773 0.409653 F\n0.019650 0.328022 0.576451 F\n0.018500 0.326856 0.742950 F\n0.020541 0.327488 0.910033 F\n0.004127 0.220684 0.008493 F\n0.004241 0.221381 0.174530 F\n0.003243 0.229208 0.341247 F\n0.999907 0.223211 0.507475 F\n0.999372 0.222895 0.674181 F\n0.001568 0.227029 0.842769 F\n0.333333 0.666667 0.106709 F\n0.333333 0.666667 0.338164 F\n0.333333 0.666667 0.272980 F\n0.333333 0.666667 0.505750 F\n0.333333 0.666667 0.440303 F\n0.333333 0.666667 0.607209 F\n0.333333 0.666667 0.672680 F\n0.333333 0.666667 0.774483 F\n0.333333 0.666667 0.941592 F\n0.333333 0.666667 0.838648 F\n0.372733 0.362002 0.035442 F\n0.371501 0.360447 0.202237 F\n0.359273 0.352852 0.536963 F\n0.369027 0.358377 0.369269 F\n0.369014 0.360133 0.869031 F\n0.358036 0.352906 0.703406 F\n0.441279 0.332641 0.104921 F\n0.443320 0.332743 0.270958 F\n0.442979 0.332379 0.606222 F\n0.443099 0.332744 0.438327 F\n0.443064 0.333193 0.773004 F\n0.441358 0.333342 0.939496 F\n0.670179 0.691501 0.075804 F\n0.669860 0.690186 0.242174 F\n0.670227 0.690770 0.409653 F\n0.671978 0.691628 0.576451 F\n0.673144 0.691643 0.742950 F\n0.672512 0.693054 0.910033 F\n0.779316 0.783442 0.008493 F\n0.778619 0.782860 0.174530 F\n0.770792 0.774035 0.341247 F\n0.777105 0.776477 0.674181 F\n0.776789 0.776696 0.507475 F\n0.772971 0.774539 0.842769 F\n0.000000 0.000000 0.109371 F\n0.000000 0.000000 0.274463 F\n0.666667 0.333333 0.503462 F\n0.000000 0.000000 0.441918 F\n0.666667 0.333333 0.670449 F\n0.000000 0.000000 0.609969 F\n0.000000 0.000000 0.776461 F\n0.000000 0.000000 0.944254 F\n0.667359 0.108638 0.104921 F\n0.667257 0.110577 0.270958 F\n0.667256 0.110355 0.438327 F\n0.667621 0.110600 0.606222 F\n0.666807 0.109871 0.773004 F\n0.666658 0.108016 0.939496 F\n0.891362 0.558721 0.104921 F\n0.889423 0.556680 0.270958 F\n0.889645 0.556901 0.438327 F\n0.889400 0.557021 0.606222 F\n0.890129 0.556936 0.773004 F\n0.891984 0.558642 0.939496 F\n0.637998 0.010732 0.035442 F\n0.641623 0.010650 0.369269 F\n0.639553 0.011054 0.202237 F\n0.647148 0.006421 0.536963 F\n0.647094 0.005131 0.703406 F\n0.639867 0.008881 0.869031 F\n0.989268 0.627267 0.035442 F\n0.988946 0.628499 0.202237 F\n0.989350 0.630973 0.369269 F\n0.993579 0.640727 0.536963 F\n0.994869 0.641964 0.703406 F\n0.991119 0.630986 0.869031 F\n",
            "nsites": 144,
            "nelements": 3,
            "elements": [
                "K",
                "Sn",
                "F"
            ],
            "chemical_system": "F-K-Sn",
            "density": 4.146860974446954,
            "density_atomic": 0.05377612288731266,
            "volume": 2677.7683527269264,
            "volume_molar": 11.198540238052,
            "formula_full": "K18 Sn36 F90",
            "formula_reduced": "KSn2F5",
            "formula_anonymous": "AB2C5",
            "energy": -720.4058012700001,
            "energy_per_atom": -5.002818064375001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -678.82580127,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0020142,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:05.424000Z",
            "spacegroup": 143
        },
        {
            "id": "mp-1209693",
            "created_at": "2022-09-04T14:47:22.081482Z",
            "structure_string": "Rb12 Sb8 I36\n1.0\n8.426432 0.000000 0.000000\n0.000000 15.030509 0.000000\n0.000000 14.632897 21.134752\nRb Sb I\n12 8 36\ndirect\n0.262498 0.003363 0.634430 Rb\n0.737502 0.003363 0.134430 Rb\n0.786786 0.418379 0.680534 Rb\n0.213214 0.418379 0.180534 Rb\n0.724142 0.685967 0.796464 Rb\n0.275858 0.685967 0.296464 Rb\n0.771559 0.070501 0.349163 Rb\n0.228441 0.070501 0.849163 Rb\n0.760029 0.761018 0.007094 Rb\n0.239971 0.761018 0.507094 Rb\n0.723759 0.339507 0.465177 Rb\n0.276241 0.339507 0.965177 Rb\n0.755529 0.209033 0.909875 Sb\n0.244471 0.209033 0.409875 Sb\n0.743078 0.698573 0.413624 Sb\n0.256922 0.698573 0.913624 Sb\n0.260116 0.553243 0.729937 Sb\n0.739884 0.553243 0.229937 Sb\n0.753285 0.053100 0.730280 Sb\n0.246715 0.053100 0.230280 Sb\n0.568560 0.432495 0.815724 I\n0.431440 0.432495 0.315724 I\n0.948545 0.856191 0.851265 I\n0.051455 0.856191 0.351265 I\n0.551125 0.223792 0.632402 I\n0.448875 0.223792 0.132402 I\n0.962073 0.186666 0.182777 I\n0.037927 0.186666 0.682777 I\n0.820914 0.286972 0.988322 I\n0.179086 0.286972 0.488322 I\n0.543731 0.566715 0.958131 I\n0.456269 0.566715 0.458131 I\n0.333023 0.477997 0.650943 I\n0.666977 0.477997 0.150943 I\n0.945154 0.013048 0.990482 I\n0.054846 0.013048 0.490482 I\n0.670988 0.135622 0.817606 I\n0.329012 0.135622 0.317606 I\n0.832374 0.619491 0.325173 I\n0.167626 0.619491 0.825173 I\n0.453543 0.748110 0.653820 I\n0.546457 0.748110 0.153820 I\n0.687583 0.782900 0.489929 I\n0.312417 0.782900 0.989929 I\n0.443748 0.899763 0.793478 I\n0.556252 0.899763 0.293478 I\n0.466585 0.098228 0.980262 I\n0.533415 0.098228 0.480262 I\n0.976431 0.667304 0.656491 I\n0.023569 0.667304 0.156491 I\n0.931473 0.328131 0.324223 I\n0.068527 0.328131 0.824223 I\n0.809541 0.965895 0.655406 I\n0.190459 0.965895 0.155406 I\n0.937544 0.523096 0.512588 I\n0.062456 0.523096 0.012588 I\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Rb",
                "Sb",
                "I"
            ],
            "chemical_system": "I-Rb-Sb",
            "density": 4.074595547815445,
            "density_atomic": 0.020920567561983645,
            "volume": 2676.7916230801434,
            "volume_molar": 28.78574274888837,
            "formula_full": "Rb12 Sb8 I36",
            "formula_reduced": "Rb3Sb2I9",
            "formula_anonymous": "A2B3C9",
            "energy": -162.06113576,
            "energy_per_atom": -2.893948852857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -148.41713576,
            "band_gap": 1.9451,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0096109,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:05.238000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-649080",
            "created_at": "2022-09-04T14:39:18.016079Z",
            "structure_string": "Ti12 S6 Cl72\n1.0\n8.879064 -11.364591 0.000000\n8.879064 11.364591 0.000000\n-5.666831 0.000000 13.261928\nTi S Cl\n12 6 72\ndirect\n0.322818 0.144621 0.990039 Ti\n0.677182 0.855379 0.009961 Ti\n0.652581 0.821421 0.491152 Ti\n0.821421 0.491152 0.652581 Ti\n0.508848 0.347419 0.178579 Ti\n0.347419 0.178579 0.508848 Ti\n0.990039 0.322818 0.144621 Ti\n0.855379 0.009961 0.677182 Ti\n0.178579 0.508848 0.347419 Ti\n0.144621 0.990039 0.322818 Ti\n0.009961 0.677182 0.855379 Ti\n0.491152 0.652581 0.821421 Ti\n0.447835 0.838870 0.171417 S\n0.161130 0.828583 0.552165 S\n0.828583 0.552165 0.161130 S\n0.552165 0.161130 0.828583 S\n0.838870 0.171417 0.447835 S\n0.171417 0.447835 0.838870 S\n0.849964 0.051872 0.351501 Cl\n0.635547 0.812707 0.328146 Cl\n0.289868 0.121733 0.321879 Cl\n0.831857 0.133292 0.787740 Cl\n0.017969 0.538106 0.712198 Cl\n0.824173 0.490768 0.497845 Cl\n0.956770 0.284245 0.454435 Cl\n0.982031 0.461894 0.287802 Cl\n0.961970 0.968685 0.785666 Cl\n0.968230 0.109723 0.626403 Cl\n0.287802 0.982031 0.461894 Cl\n0.321879 0.289868 0.121733 Cl\n0.712198 0.017969 0.538106 Cl\n0.133292 0.787740 0.831857 Cl\n0.721004 0.198718 0.364148 Cl\n0.475644 0.633751 0.661481 Cl\n0.890277 0.373597 0.031770 Cl\n0.715755 0.545565 0.043230 Cl\n0.785666 0.961970 0.968685 Cl\n0.175827 0.509232 0.502155 Cl\n0.801282 0.635852 0.278996 Cl\n0.635852 0.278996 0.801282 Cl\n0.198718 0.364148 0.721004 Cl\n0.137145 0.469458 0.161596 Cl\n0.671854 0.364453 0.187293 Cl\n0.031315 0.214334 0.038030 Cl\n0.502155 0.175827 0.509232 Cl\n0.109723 0.626403 0.968230 Cl\n0.862855 0.530542 0.838404 Cl\n0.524356 0.366249 0.338519 Cl\n0.454435 0.956770 0.284245 Cl\n0.364148 0.721004 0.198718 Cl\n0.968685 0.785666 0.961970 Cl\n0.212260 0.168143 0.866708 Cl\n0.031770 0.890277 0.373597 Cl\n0.812707 0.328146 0.635547 Cl\n0.678121 0.710132 0.878267 Cl\n0.328146 0.635547 0.812707 Cl\n0.497845 0.824173 0.490768 Cl\n0.490769 0.497845 0.824173 Cl\n0.364453 0.187293 0.671854 Cl\n0.284245 0.454435 0.956770 Cl\n0.710132 0.878267 0.678121 Cl\n0.878267 0.678121 0.710132 Cl\n0.530542 0.838404 0.862855 Cl\n0.338519 0.524356 0.366249 Cl\n0.461894 0.287802 0.982031 Cl\n0.661481 0.475644 0.633751 Cl\n0.866708 0.212260 0.168143 Cl\n0.633751 0.661481 0.475644 Cl\n0.366249 0.338519 0.524356 Cl\n0.787740 0.831857 0.133292 Cl\n0.373597 0.031770 0.890277 Cl\n0.648499 0.150036 0.948128 Cl\n0.168143 0.866708 0.212260 Cl\n0.043230 0.715755 0.545565 Cl\n0.214334 0.038030 0.031315 Cl\n0.121733 0.321879 0.289868 Cl\n0.051872 0.351501 0.849964 Cl\n0.187293 0.671854 0.364453 Cl\n0.626403 0.968230 0.109723 Cl\n0.038030 0.031315 0.214334 Cl\n0.278996 0.801282 0.635852 Cl\n0.150036 0.948128 0.648499 Cl\n0.545565 0.043230 0.715755 Cl\n0.538106 0.712198 0.017969 Cl\n0.838404 0.862855 0.530542 Cl\n0.161596 0.137145 0.469458 Cl\n0.469458 0.161596 0.137145 Cl\n0.948128 0.648499 0.150036 Cl\n0.509232 0.502155 0.175827 Cl\n0.351501 0.849964 0.051872 Cl\n",
            "nsites": 90,
            "nelements": 3,
            "elements": [
                "Ti",
                "S",
                "Cl"
            ],
            "chemical_system": "Cl-S-Ti",
            "density": 2.059455143514736,
            "density_atomic": 0.033626746592599135,
            "volume": 2676.440902546545,
            "volume_molar": 17.9087820566186,
            "formula_full": "Ti12 S6 Cl72",
            "formula_reduced": "Ti2SCl12",
            "formula_anonymous": "AB2C12",
            "energy": -395.2313912400001,
            "energy_per_atom": -4.391459902666668,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -351.02339124,
            "band_gap": 1.7664999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.25e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.350000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1202536",
            "created_at": "2022-09-04T14:46:24.197799Z",
            "structure_string": "Cs36 Fe8 S28\n1.0\n13.883089 0.000000 0.000000\n0.000000 13.883089 0.000000\n0.000000 0.000000 13.883089\nCs Fe S\n36 8 28\ndirect\n0.202367 0.167099 0.503016 Cs\n0.496984 0.702367 0.332901 Cs\n0.667099 0.996984 0.797633 Cs\n0.702367 0.332901 0.496984 Cs\n0.996984 0.797633 0.667099 Cs\n0.167099 0.503016 0.202367 Cs\n0.797633 0.667099 0.996984 Cs\n0.503016 0.202367 0.167099 Cs\n0.332901 0.496984 0.702367 Cs\n0.297633 0.832901 0.003016 Cs\n0.003016 0.297633 0.832901 Cs\n0.832901 0.003016 0.297633 Cs\n0.707853 0.823868 0.542349 Cs\n0.457651 0.207853 0.676132 Cs\n0.323868 0.957651 0.292147 Cs\n0.207853 0.676132 0.457651 Cs\n0.957651 0.292147 0.323868 Cs\n0.823868 0.542349 0.707853 Cs\n0.292147 0.323868 0.957651 Cs\n0.542349 0.707853 0.823868 Cs\n0.676132 0.457651 0.207853 Cs\n0.792147 0.176132 0.042349 Cs\n0.042349 0.792147 0.176132 Cs\n0.176132 0.042349 0.792147 Cs\n0.084605 0.584605 0.915395 Cs\n0.584605 0.915395 0.084605 Cs\n0.915395 0.084605 0.584605 Cs\n0.415395 0.415395 0.415395 Cs\n0.262734 0.762734 0.737266 Cs\n0.762734 0.737266 0.262734 Cs\n0.737266 0.262734 0.762734 Cs\n0.237266 0.237266 0.237266 Cs\n0.440728 0.940728 0.559272 Cs\n0.940728 0.559272 0.440728 Cs\n0.559272 0.440728 0.940728 Cs\n0.059272 0.059272 0.059272 Cs\n0.929312 0.429312 0.070688 Fe\n0.429312 0.070688 0.929312 Fe\n0.070688 0.929312 0.429312 Fe\n0.570688 0.570688 0.570688 Fe\n0.599781 0.099781 0.400219 Fe\n0.099781 0.400219 0.599781 Fe\n0.400219 0.599781 0.099781 Fe\n0.900219 0.900219 0.900219 Fe\n0.660647 0.088414 0.555559 S\n0.444441 0.160647 0.411586 S\n0.588414 0.944441 0.339353 S\n0.160647 0.411586 0.444441 S\n0.944441 0.339353 0.588414 S\n0.088414 0.555559 0.660647 S\n0.339353 0.588414 0.944441 S\n0.555559 0.660647 0.088414 S\n0.411586 0.444441 0.160647 S\n0.839353 0.911586 0.055559 S\n0.055559 0.839353 0.911586 S\n0.911586 0.055559 0.839353 S\n0.179709 0.922942 0.549655 S\n0.450345 0.679709 0.577058 S\n0.422942 0.950345 0.820291 S\n0.679709 0.577058 0.450345 S\n0.950345 0.820291 0.422942 S\n0.922942 0.549655 0.179709 S\n0.820291 0.422942 0.950345 S\n0.549655 0.179709 0.922942 S\n0.577058 0.450345 0.679709 S\n0.320291 0.077058 0.049655 S\n0.049655 0.320291 0.077058 S\n0.077058 0.049655 0.320291 S\n0.698267 0.198267 0.301733 S\n0.198267 0.301733 0.698267 S\n0.301733 0.698267 0.198267 S\n0.801733 0.801733 0.801733 S\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Cs",
                "Fe",
                "S"
            ],
            "chemical_system": "Cs-Fe-S",
            "density": 3.8035828931135764,
            "density_atomic": 0.026907551059480762,
            "volume": 2675.8287976798656,
            "volume_molar": 22.380857874013486,
            "formula_full": "Cs36 Fe8 S28",
            "formula_reduced": "Cs9Fe2S7",
            "formula_anonymous": "A2B7C9",
            "energy": -282.97051754,
            "energy_per_atom": -3.9301460769444443,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -268.88651754,
            "band_gap": 0.2616,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0327139,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:34.754000Z",
            "spacegroup": 198
        },
        {
            "id": "mp-726503",
            "created_at": "2022-09-04T14:41:03.112816Z",
            "structure_string": "Sb8 C8 N8 Cl64\n1.0\n11.772209 0.000000 0.000000\n0.000000 10.341879 0.000000\n0.000000 4.700883 21.976744\nSb C N Cl\n8 8 8 64\ndirect\n0.619067 0.563615 0.646701 Sb\n0.119067 0.436385 0.853299 Sb\n0.380933 0.436385 0.353299 Sb\n0.880933 0.563615 0.146701 Sb\n0.120609 0.047936 0.629167 Sb\n0.620609 0.952064 0.870833 Sb\n0.879391 0.952064 0.370833 Sb\n0.379391 0.047936 0.129167 Sb\n0.844993 0.425661 0.403976 C\n0.344993 0.574339 0.096024 C\n0.155007 0.574339 0.596024 C\n0.655007 0.425661 0.903976 C\n0.584520 0.091202 0.614023 C\n0.084520 0.908798 0.885977 C\n0.415480 0.908798 0.385977 C\n0.915480 0.091202 0.114023 C\n0.791352 0.396807 0.360247 N\n0.291352 0.603193 0.139753 N\n0.208648 0.603193 0.639753 N\n0.708648 0.396807 0.860247 N\n0.526780 0.103515 0.659568 N\n0.026780 0.896485 0.840432 N\n0.473220 0.896485 0.340432 N\n0.973220 0.103515 0.159568 N\n0.734456 0.657039 0.714711 Cl\n0.234456 0.342961 0.785289 Cl\n0.265544 0.342961 0.285289 Cl\n0.765544 0.657039 0.214711 Cl\n0.711952 0.697066 0.560099 Cl\n0.211952 0.302934 0.939901 Cl\n0.288048 0.302934 0.439901 Cl\n0.788048 0.697066 0.060099 Cl\n0.524336 0.426582 0.731735 Cl\n0.024336 0.573418 0.768265 Cl\n0.475664 0.573418 0.268265 Cl\n0.975664 0.426582 0.231735 Cl\n0.498216 0.468957 0.580137 Cl\n0.998216 0.531043 0.919863 Cl\n0.501784 0.531043 0.419863 Cl\n0.001784 0.468957 0.080137 Cl\n0.754770 0.388782 0.646454 Cl\n0.254770 0.611218 0.853546 Cl\n0.245230 0.611218 0.353546 Cl\n0.745230 0.388782 0.146454 Cl\n0.480285 0.735958 0.644918 Cl\n0.980285 0.264042 0.855082 Cl\n0.519715 0.264042 0.355082 Cl\n0.019715 0.735958 0.144918 Cl\n0.256480 0.223121 0.627748 Cl\n0.756480 0.776879 0.872252 Cl\n0.743520 0.776879 0.372252 Cl\n0.243520 0.223121 0.127748 Cl\n0.984138 0.873118 0.630397 Cl\n0.484138 0.126882 0.869603 Cl\n0.015862 0.126882 0.369603 Cl\n0.515862 0.873118 0.130397 Cl\n0.235287 0.960739 0.558089 Cl\n0.735287 0.039261 0.941911 Cl\n0.764713 0.039261 0.441911 Cl\n0.264713 0.960739 0.058089 Cl\n0.005336 0.136150 0.699101 Cl\n0.505336 0.863850 0.800899 Cl\n0.994664 0.863850 0.300899 Cl\n0.494664 0.136150 0.199101 Cl\n0.221411 0.912613 0.711816 Cl\n0.721411 0.087387 0.788184 Cl\n0.778589 0.087387 0.288184 Cl\n0.278589 0.912613 0.211816 Cl\n0.021579 0.184119 0.545092 Cl\n0.521579 0.815881 0.954908 Cl\n0.978421 0.815881 0.454908 Cl\n0.478421 0.184119 0.045092 Cl\n0.784014 0.407182 0.474735 Cl\n0.284014 0.592818 0.025265 Cl\n0.215986 0.592818 0.525265 Cl\n0.715986 0.407182 0.974735 Cl\n0.981513 0.484118 0.394135 Cl\n0.481513 0.515882 0.105865 Cl\n0.018487 0.515882 0.605865 Cl\n0.518487 0.484118 0.894135 Cl\n0.719200 0.027060 0.623103 Cl\n0.219200 0.972940 0.876897 Cl\n0.280800 0.972940 0.376897 Cl\n0.780800 0.027060 0.123103 Cl\n0.530432 0.138524 0.541933 Cl\n0.030432 0.861476 0.958067 Cl\n0.469568 0.861476 0.458067 Cl\n0.969568 0.138524 0.041933 Cl\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Sb",
                "C",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-N-Sb",
            "density": 2.141903346226291,
            "density_atomic": 0.03288985106381674,
            "volume": 2675.5974002208795,
            "volume_molar": 18.310027455932037,
            "formula_full": "Sb8 C8 N8 Cl64",
            "formula_reduced": "SbCNCl8",
            "formula_anonymous": "ABCD8",
            "energy": -343.29222837,
            "energy_per_atom": -3.9010480496590905,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -301.10822837,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0427775,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:10.015000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1195452",
            "created_at": "2022-09-04T14:46:33.056498Z",
            "structure_string": "Rb12 Sb8 I36\n1.0\n8.447352 0.000000 0.000000\n0.000000 15.039635 0.000000\n0.000000 15.027240 21.058515\nRb Sb I\n12 8 36\ndirect\n0.517469 0.756695 0.772515 Rb\n0.982531 0.756695 0.272515 Rb\n0.482531 0.243305 0.227485 Rb\n0.017469 0.243305 0.727485 Rb\n0.510420 0.749494 0.431947 Rb\n0.989580 0.749494 0.931947 Rb\n0.489580 0.250506 0.568053 Rb\n0.010420 0.250506 0.068053 Rb\n0.474813 0.257829 0.894192 Rb\n0.025187 0.257829 0.394192 Rb\n0.525187 0.742171 0.105808 Rb\n0.974813 0.742171 0.605808 Rb\n0.507462 0.004012 0.158163 Sb\n0.992538 0.004012 0.658163 Sb\n0.492538 0.995988 0.841837 Sb\n0.007462 0.995988 0.341837 Sb\n0.491315 0.507401 0.658941 Sb\n0.008685 0.507401 0.158941 Sb\n0.508685 0.492599 0.341059 Sb\n0.991315 0.492599 0.841059 Sb\n0.068585 0.748858 0.748203 I\n0.431415 0.748858 0.248203 I\n0.931415 0.251142 0.251797 I\n0.568585 0.251142 0.751797 I\n0.057304 0.758640 0.418229 I\n0.442696 0.758640 0.918229 I\n0.942696 0.241360 0.581771 I\n0.557304 0.241360 0.081771 I\n0.933386 0.257369 0.920248 I\n0.566614 0.257369 0.420248 I\n0.066614 0.742631 0.079752 I\n0.433386 0.742631 0.579752 I\n0.806890 0.977034 0.439416 I\n0.693110 0.977034 0.939416 I\n0.193110 0.022966 0.560584 I\n0.306890 0.022966 0.060584 I\n0.794263 0.526482 0.921404 I\n0.705737 0.526482 0.421404 I\n0.205737 0.473518 0.078596 I\n0.294263 0.473518 0.578596 I\n0.793087 0.965913 0.109689 I\n0.706913 0.965913 0.609689 I\n0.206913 0.034087 0.890311 I\n0.293087 0.034087 0.390311 I\n0.777615 0.532508 0.587624 I\n0.722385 0.532508 0.087624 I\n0.222385 0.467492 0.412376 I\n0.277615 0.467492 0.912376 I\n0.797902 0.967273 0.777424 I\n0.702098 0.967273 0.277424 I\n0.202098 0.032727 0.222576 I\n0.297902 0.032727 0.722576 I\n0.816946 0.538596 0.255553 I\n0.683054 0.538596 0.755553 I\n0.183054 0.461404 0.744447 I\n0.316946 0.461404 0.244447 I\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Rb",
                "Sb",
                "I"
            ],
            "chemical_system": "I-Rb-Sb",
            "density": 4.0767439975066075,
            "density_atomic": 0.02093159854319148,
            "volume": 2675.380950214879,
            "volume_molar": 28.7705726228867,
            "formula_full": "Rb12 Sb8 I36",
            "formula_reduced": "Rb3Sb2I9",
            "formula_anonymous": "A2B3C9",
            "energy": -162.01593731,
            "energy_per_atom": -2.8931417376785715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -148.37193731,
            "band_gap": 1.8775,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0063246,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:38.116000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-571250",
            "created_at": "2022-09-04T14:39:35.816685Z",
            "structure_string": "Ta8 P16 Se16 Cl40\n1.0\n14.059198 0.000000 0.000000\n0.000000 6.912076 0.000000\n0.000000 5.013648 27.526753\nTa P Se Cl\n8 16 16 40\ndirect\n0.209808 0.743311 0.971565 Ta\n0.290192 0.743311 0.471565 Ta\n0.610476 0.032646 0.299117 Ta\n0.389524 0.967354 0.700883 Ta\n0.110476 0.967354 0.200883 Ta\n0.709808 0.256689 0.528435 Ta\n0.889524 0.032646 0.799117 Ta\n0.790192 0.256689 0.028435 Ta\n0.338738 0.666227 0.900777 P\n0.576073 0.528611 0.881934 P\n0.661262 0.333773 0.099223 P\n0.409310 0.752344 0.794794 P\n0.921763 0.082340 0.642739 P\n0.090690 0.752344 0.294794 P\n0.838738 0.333773 0.599223 P\n0.578237 0.082340 0.142739 P\n0.078237 0.917660 0.357261 P\n0.423927 0.471389 0.118066 P\n0.161262 0.666227 0.400777 P\n0.421763 0.917660 0.857261 P\n0.923927 0.528611 0.381934 P\n0.590690 0.247656 0.205206 P\n0.076073 0.471389 0.618066 P\n0.909310 0.247656 0.705206 P\n0.446811 0.429491 0.929816 Se\n0.070635 0.138161 0.617077 Se\n0.570635 0.861839 0.882923 Se\n0.228162 0.614371 0.329456 Se\n0.469351 0.467427 0.196836 Se\n0.946811 0.570509 0.570184 Se\n0.969351 0.532573 0.303164 Se\n0.053189 0.429491 0.429816 Se\n0.530649 0.532573 0.803164 Se\n0.030649 0.467427 0.696836 Se\n0.728162 0.385629 0.170544 Se\n0.553189 0.570509 0.070184 Se\n0.271838 0.614371 0.829456 Se\n0.429365 0.138161 0.117077 Se\n0.929365 0.861839 0.382923 Se\n0.771838 0.385629 0.670544 Se\n0.482275 0.718284 0.678135 Cl\n0.869106 0.841728 0.873856 Cl\n0.309737 0.032055 0.414813 Cl\n0.190263 0.032055 0.914813 Cl\n0.759783 0.567521 0.487961 Cl\n0.851363 0.124627 0.502651 Cl\n0.105018 0.584865 0.926581 Cl\n0.757088 0.241600 0.798168 Cl\n0.740217 0.567521 0.987961 Cl\n0.894982 0.415135 0.073419 Cl\n0.130894 0.158272 0.126144 Cl\n0.369106 0.158272 0.626144 Cl\n0.700616 0.838999 0.255298 Cl\n0.517725 0.281716 0.321865 Cl\n0.742912 0.241600 0.298168 Cl\n0.630894 0.841728 0.373856 Cl\n0.259783 0.432479 0.012039 Cl\n0.528120 0.106657 0.725863 Cl\n0.471880 0.893343 0.274137 Cl\n0.982275 0.281716 0.821865 Cl\n0.891310 0.186218 0.970310 Cl\n0.809737 0.967945 0.085187 Cl\n0.690263 0.967945 0.585187 Cl\n0.017725 0.718284 0.178135 Cl\n0.799384 0.838999 0.755298 Cl\n0.971880 0.106657 0.225863 Cl\n0.391310 0.813782 0.529690 Cl\n0.200616 0.161001 0.244702 Cl\n0.605018 0.415135 0.573419 Cl\n0.299384 0.161001 0.744702 Cl\n0.648637 0.124627 0.002651 Cl\n0.394982 0.584865 0.426581 Cl\n0.148637 0.875373 0.497349 Cl\n0.242912 0.758400 0.201832 Cl\n0.240217 0.432479 0.512039 Cl\n0.028120 0.893343 0.774137 Cl\n0.257088 0.758400 0.701832 Cl\n0.608690 0.186218 0.470310 Cl\n0.351363 0.875373 0.997349 Cl\n0.108690 0.813782 0.029690 Cl\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Ta",
                "P",
                "Se",
                "Cl"
            ],
            "chemical_system": "Cl-P-Se-Ta",
            "density": 2.8708023583205353,
            "density_atomic": 0.029906524736515224,
            "volume": 2675.0015491543127,
            "volume_molar": 20.136544827781666,
            "formula_full": "Ta8 P16 Se16 Cl40",
            "formula_reduced": "TaP2Se2Cl5",
            "formula_anonymous": "AB2C2D5",
            "energy": -411.08327963,
            "energy_per_atom": -5.138540995375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -378.97127963,
            "band_gap": 1.7911,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0296948,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.451000Z",
            "spacegroup": 14
        }
    ]
}