GET /third-parties/MatprojStructure/?format=api&ordering=-density&page=10393
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10394",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10392",
    "results": [
        {
            "id": "mp-771018",
            "created_at": "2022-09-04T14:43:11.926428Z",
            "structure_string": "Li8 Mn4 B4 O16\n1.0\n5.163509 0.000000 0.000000\n0.000000 6.661941 0.000000\n0.000000 0.873401 10.469829\nLi Mn B O\n8 4 4 16\ndirect\n0.653772 0.903187 0.792422 Li\n0.846228 0.903187 0.292422 Li\n0.826987 0.791332 0.568740 Li\n0.673013 0.791332 0.068740 Li\n0.326987 0.208668 0.931260 Li\n0.173013 0.208668 0.431260 Li\n0.153772 0.096813 0.707578 Li\n0.346228 0.096813 0.207578 Li\n0.847117 0.492705 0.846524 Mn\n0.347117 0.507295 0.653476 Mn\n0.652883 0.492705 0.346524 Mn\n0.152883 0.507295 0.153476 Mn\n0.175996 0.811289 0.937872 B\n0.324004 0.811289 0.437872 B\n0.675996 0.188711 0.562128 B\n0.824004 0.188711 0.062128 B\n0.305373 0.945942 0.857666 O\n0.194627 0.945942 0.357666 O\n0.914964 0.760098 0.919782 O\n0.585036 0.760098 0.419782 O\n0.193434 0.718223 0.544374 O\n0.647799 0.623630 0.710423 O\n0.306566 0.718223 0.044374 O\n0.852201 0.623630 0.210423 O\n0.147799 0.376370 0.789577 O\n0.693434 0.281777 0.955626 O\n0.352201 0.376370 0.289577 O\n0.806566 0.281777 0.455626 O\n0.414964 0.239902 0.580218 O\n0.085036 0.239902 0.080218 O\n0.805373 0.054058 0.642334 O\n0.694627 0.054058 0.142334 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-Mn-O",
            "density": 2.6488956070846763,
            "density_atomic": 0.08885148062169493,
            "volume": 360.15156726816025,
            "volume_molar": 6.777760728198342,
            "formula_full": "Li8 Mn4 B4 O16",
            "formula_reduced": "Li2MnBO4",
            "formula_anonymous": "ABC2D4",
            "energy": -233.04817824000003,
            "energy_per_atom": -7.282755570000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -215.38417824,
            "band_gap": 0.6277000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 15.9999521,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:03.607000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-697797",
            "created_at": "2022-09-04T14:41:52.943300Z",
            "structure_string": "V2 P8 O24\n1.0\n3.674965 7.525943 0.000000\n-3.674965 7.525943 0.000000\n0.000000 4.883820 8.314469\nV P O\n2 8 24\ndirect\n0.144109 0.855891 0.250000 V\n0.855891 0.144109 0.750000 V\n0.968946 0.299261 0.339059 P\n0.700739 0.031054 0.160941 P\n0.559722 0.697165 0.356737 P\n0.031054 0.700739 0.660941 P\n0.302835 0.440278 0.143263 P\n0.697165 0.559722 0.856737 P\n0.440278 0.302835 0.643263 P\n0.299261 0.968946 0.839059 P\n0.872683 0.980317 0.215377 O\n0.502537 0.765414 0.785327 O\n0.360808 0.139631 0.729383 O\n0.639192 0.860369 0.270617 O\n0.044766 0.749733 0.486524 O\n0.250267 0.955234 0.013476 O\n0.662848 0.499114 0.031607 O\n0.222912 0.600184 0.230577 O\n0.500886 0.337152 0.468393 O\n0.955234 0.250267 0.513476 O\n0.497463 0.234586 0.214673 O\n0.499114 0.662848 0.531607 O\n0.337152 0.500886 0.968393 O\n0.399816 0.777088 0.269423 O\n0.980317 0.872683 0.715377 O\n0.765414 0.502537 0.285327 O\n0.860369 0.639192 0.770617 O\n0.749733 0.044766 0.986524 O\n0.234586 0.497463 0.714673 O\n0.777088 0.399816 0.769423 O\n0.019683 0.127317 0.284623 O\n0.127317 0.019683 0.784623 O\n0.139631 0.360808 0.229383 O\n0.600184 0.222912 0.730577 O\n",
            "nsites": 34,
            "nelements": 3,
            "elements": [
                "V",
                "P",
                "O"
            ],
            "chemical_system": "O-P-V",
            "density": 2.6488936422524128,
            "density_atomic": 0.07392652139060542,
            "volume": 459.9161351087286,
            "volume_molar": 8.146116774764534,
            "formula_full": "V2 P8 O24",
            "formula_reduced": "V(PO3)4",
            "formula_anonymous": "AB4C12",
            "energy": -265.65222708,
            "energy_per_atom": -7.813300796470588,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -245.76422708,
            "band_gap": 0.8114,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.003595,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:39.713000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1020664",
            "created_at": "2022-09-04T14:39:33.241297Z",
            "structure_string": "Rb4 Li10 B14 O28\n1.0\n2.226703 -6.823044 0.000000\n2.226703 6.823044 0.000000\n0.000000 0.000000 20.850067\nRb Li B O\n4 10 14 28\ndirect\n0.654458 0.280170 0.844203 Rb\n0.280170 0.654458 0.155797 Rb\n0.654458 0.280170 0.655797 Rb\n0.280170 0.654458 0.344203 Rb\n0.294343 0.635681 0.750000 Li\n0.635681 0.294343 0.250000 Li\n0.969404 0.003144 0.935629 Li\n0.003144 0.969404 0.064371 Li\n0.969404 0.003144 0.564371 Li\n0.003144 0.969404 0.435629 Li\n0.398168 0.566404 0.011788 Li\n0.566404 0.398168 0.988212 Li\n0.398168 0.566404 0.488212 Li\n0.566404 0.398168 0.511788 Li\n0.056988 0.876521 0.750000 B\n0.876521 0.056988 0.250000 B\n0.891207 0.032068 0.810550 B\n0.032068 0.891207 0.189450 B\n0.891207 0.032068 0.689450 B\n0.032068 0.891207 0.310550 B\n0.759664 0.159769 0.006931 B\n0.159769 0.759664 0.993069 B\n0.759664 0.159769 0.493069 B\n0.159769 0.759664 0.506931 B\n0.384164 0.532821 0.873550 B\n0.532821 0.384164 0.126450 B\n0.384164 0.532821 0.626450 B\n0.532821 0.384164 0.373550 B\n0.158525 0.780475 0.750000 O\n0.780475 0.158525 0.250000 O\n0.004239 0.927548 0.808020 O\n0.927548 0.004239 0.191980 O\n0.004239 0.927548 0.691980 O\n0.927548 0.004239 0.308020 O\n0.862757 0.424689 0.991631 O\n0.424689 0.862757 0.008369 O\n0.862757 0.424689 0.508369 O\n0.424689 0.862757 0.491631 O\n0.942330 0.172859 0.750000 O\n0.172859 0.942330 0.250000 O\n0.543838 0.756214 0.825299 O\n0.756214 0.543838 0.174701 O\n0.543838 0.756214 0.674701 O\n0.756214 0.543838 0.325299 O\n0.053087 0.254220 0.866038 O\n0.254220 0.053087 0.133962 O\n0.053087 0.254220 0.633962 O\n0.254220 0.053087 0.366038 O\n0.520128 0.567984 0.926878 O\n0.567984 0.520128 0.073122 O\n0.520128 0.567984 0.573122 O\n0.567984 0.520128 0.426878 O\n0.943016 0.163057 0.019758 O\n0.163057 0.943016 0.980242 O\n0.943016 0.163057 0.480242 O\n0.163057 0.943016 0.519758 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Rb",
                "Li",
                "B",
                "O"
            ],
            "chemical_system": "B-Li-O-Rb",
            "density": 2.6488561977610856,
            "density_atomic": 0.08839141988311137,
            "volume": 633.5456549295653,
            "volume_molar": 6.813037699771839,
            "formula_full": "Rb4 Li10 B14 O28",
            "formula_reduced": "Rb2Li5(BO2)7",
            "formula_anonymous": "A2B5C7D14",
            "energy": -406.82783925,
            "energy_per_atom": -7.26478284375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -387.59183925,
            "band_gap": 4.2037,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006898,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.411000Z",
            "spacegroup": 40
        },
        {
            "id": "mp-1114037",
            "created_at": "2022-09-04T14:44:54.393339Z",
            "structure_string": "K1 Rb2 Gd1 Cl6\n1.0\n0.000000 5.665021 5.665021\n5.665021 0.000000 5.665021\n5.665021 5.665021 0.000000\nK Rb Gd Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Gd\n0.764776 0.235224 0.235224 Cl\n0.235224 0.235224 0.764776 Cl\n0.235224 0.764776 0.764776 Cl\n0.235224 0.764776 0.235224 Cl\n0.764776 0.235224 0.764776 Cl\n0.764776 0.764776 0.235224 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "K",
                "Rb",
                "Gd",
                "Cl"
            ],
            "chemical_system": "Cl-Gd-K-Rb",
            "density": 2.6487681505354326,
            "density_atomic": 0.027502073094315137,
            "volume": 363.60895288533965,
            "volume_molar": 21.897042958717236,
            "formula_full": "K1 Rb2 Gd1 Cl6",
            "formula_reduced": "KRb2GdCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -52.85125233,
            "energy_per_atom": -5.2851252330000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.16725233,
            "band_gap": 3.253,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.000032,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:39.925000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1180388",
            "created_at": "2022-09-04T14:44:28.989806Z",
            "structure_string": "Na4 Ti4 Si4 O22\n1.0\n5.404955 0.000000 0.000000\n-0.033816 7.094288 0.000000\n-1.593167 -0.771354 12.225714\nNa Ti Si O\n4 4 4 22\ndirect\n0.816079 0.330896 0.206981 Na\n0.180659 0.668164 0.798376 Na\n0.744393 0.114408 0.490813 Na\n0.251447 0.887035 0.515508 Na\n0.830958 0.824744 0.264266 Ti\n0.777839 0.612638 0.506774 Ti\n0.171430 0.175126 0.741955 Ti\n0.220240 0.386905 0.498837 Ti\n0.321535 0.122865 0.280521 Si\n0.345298 0.553134 0.269309 Si\n0.676425 0.876390 0.724404 Si\n0.655931 0.446268 0.736595 Si\n0.322224 0.328164 0.223362 O\n0.404557 0.563112 0.406798 O\n0.340721 0.167221 0.414573 O\n0.386553 0.805938 0.000299 O\n0.592374 0.435737 0.599175 O\n0.911669 0.399248 0.419631 O\n0.136750 0.194730 0.596369 O\n0.079570 0.645119 0.227856 O\n0.052436 0.026036 0.234986 O\n0.612193 0.838547 0.020104 O\n0.866151 0.805052 0.409874 O\n0.653215 0.832163 0.590270 O\n0.084996 0.600287 0.586453 O\n0.924684 0.357319 0.776244 O\n0.585273 0.630841 0.217793 O\n0.945838 0.974372 0.767579 O\n0.420777 0.366125 0.790699 O\n0.570198 0.013792 0.253016 O\n0.429118 0.984109 0.754722 O\n0.679663 0.671412 0.781944 O\n0.091160 0.161526 0.985458 O\n0.877242 0.201277 0.001855 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Na",
                "Ti",
                "Si",
                "O"
            ],
            "chemical_system": "Na-O-Si-Ti",
            "density": 2.6487062906214116,
            "density_atomic": 0.07252768031097015,
            "volume": 468.7865357642955,
            "volume_molar": 8.30323089636871,
            "formula_full": "Na4 Ti4 Si4 O22",
            "formula_reduced": "Na2Ti2Si2O11",
            "formula_anonymous": "A2B2C2D11",
            "energy": -252.4034988,
            "energy_per_atom": -7.423632317647058,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -248.8614988,
            "band_gap": 0.3409000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9931389,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:33.432000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-759340",
            "created_at": "2022-09-04T14:43:54.512021Z",
            "structure_string": "V8 F32\n1.0\n7.783957 0.000000 0.000000\n0.000000 8.192642 0.000000\n0.000000 0.000000 9.983057\nV F\n8 32\ndirect\n0.140422 0.053531 0.249090 V\n0.140422 0.446469 0.249090 V\n0.359578 0.553531 0.749090 V\n0.359578 0.946469 0.749090 V\n0.640422 0.053531 0.250910 V\n0.640422 0.446469 0.250910 V\n0.859578 0.553531 0.750910 V\n0.859578 0.946469 0.750910 V\n0.109718 0.938344 0.763115 F\n0.109718 0.561656 0.763115 F\n0.127677 0.572967 0.390820 F\n0.127677 0.927033 0.390820 F\n0.130708 0.250000 0.367539 F\n0.149644 0.250000 0.130183 F\n0.152416 0.571651 0.106371 F\n0.152416 0.928349 0.106371 F\n0.347584 0.071651 0.606371 F\n0.347584 0.428349 0.606371 F\n0.350356 0.750000 0.630183 F\n0.369292 0.750000 0.867539 F\n0.372323 0.072967 0.890820 F\n0.372323 0.427033 0.890820 F\n0.390282 0.061656 0.263115 F\n0.390282 0.438344 0.263115 F\n0.609718 0.561656 0.736885 F\n0.609718 0.938344 0.736885 F\n0.627677 0.572967 0.109180 F\n0.627677 0.927033 0.109180 F\n0.630708 0.250000 0.132461 F\n0.649644 0.250000 0.369817 F\n0.652416 0.571651 0.393629 F\n0.652416 0.928349 0.393629 F\n0.847584 0.071651 0.893629 F\n0.847584 0.428349 0.893629 F\n0.850356 0.750000 0.869817 F\n0.869292 0.750000 0.632461 F\n0.872323 0.072967 0.609180 F\n0.872323 0.427033 0.609180 F\n0.890282 0.061656 0.236885 F\n0.890282 0.438344 0.236885 F\n",
            "nsites": 40,
            "nelements": 2,
            "elements": [
                "V",
                "F"
            ],
            "chemical_system": "F-V",
            "density": 2.6487007908613256,
            "density_atomic": 0.0628307197565373,
            "volume": 636.6312554590488,
            "volume_molar": 9.584707581474776,
            "formula_full": "V8 F32",
            "formula_reduced": "VF4",
            "formula_anonymous": "AB4",
            "energy": -253.35711976,
            "energy_per_atom": -6.333927994,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -224.97311976,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9993174,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:25.088000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-755064",
            "created_at": "2022-09-04T14:42:00.496662Z",
            "structure_string": "Li16 Co4 O12 F4\n1.0\n3.934225 3.656426 -0.000005\n-7.870801 7.315419 -0.000011\n0.000001 -0.000012 6.696182\nLi Co O F\n16 4 12 4\ndirect\n0.167255 0.420210 0.495124 Li\n0.167294 0.920264 0.495121 Li\n0.159771 0.416268 0.994971 Li\n0.159774 0.916257 0.994956 Li\n0.832710 0.079741 0.995121 Li\n0.832747 0.579787 0.995124 Li\n0.840232 0.083748 0.494957 Li\n0.840228 0.583730 0.494969 Li\n0.583165 0.445966 0.240052 Li\n0.583169 0.945942 0.240074 Li\n0.108172 0.208460 0.740253 Li\n0.108231 0.708460 0.740201 Li\n0.416836 0.054060 0.740078 Li\n0.416832 0.554028 0.740064 Li\n0.891769 0.291541 0.240192 Li\n0.891819 0.791539 0.240248 Li\n0.622073 0.810925 0.817669 Co\n0.377925 0.189074 0.317668 Co\n0.622027 0.310916 0.817707 Co\n0.377965 0.689081 0.317703 Co\n0.791790 0.395734 0.011026 O\n0.791845 0.895728 0.011036 O\n0.208155 0.104273 0.511042 O\n0.208205 0.604264 0.511028 O\n0.265965 0.336813 0.248123 O\n0.265975 0.836826 0.248151 O\n0.326480 0.366918 0.748153 O\n0.326484 0.866944 0.748120 O\n0.734022 0.163173 0.748153 O\n0.734035 0.663184 0.748124 O\n0.673521 0.133057 0.248114 O\n0.673514 0.633078 0.248149 O\n0.191614 0.095629 0.954662 F\n0.191667 0.595649 0.954613 F\n0.808329 0.404354 0.454598 F\n0.808403 0.904379 0.454654 F\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "O",
                "F"
            ],
            "chemical_system": "Co-F-Li-O",
            "density": 2.6486289829074003,
            "density_atomic": 0.09340243440894097,
            "volume": 385.4289262138749,
            "volume_molar": 6.447520129543356,
            "formula_full": "Li16 Co4 O12 F4",
            "formula_reduced": "Li4CoO3F",
            "formula_anonymous": "ABC3D4",
            "energy": -201.46639448,
            "energy_per_atom": -5.5962887355555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -184.82239448,
            "band_gap": 1.5434,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.83e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:38.695000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-1022111",
            "created_at": "2022-09-04T14:44:15.301895Z",
            "structure_string": "Mg12 Ti2 Cu2\n1.0\n4.854496 0.000000 0.000000\n0.000000 6.145224 0.000000\n0.000000 0.000000 10.812392\nMg Ti Cu\n12 2 2\ndirect\n0.000000 0.742302 0.086524 Mg\n0.000000 0.257698 0.086524 Mg\n0.000000 0.000000 0.331796 Mg\n0.500000 0.259507 0.417642 Mg\n0.500000 0.740493 0.417642 Mg\n0.500000 0.000000 0.166057 Mg\n0.000000 0.242302 0.586524 Mg\n0.000000 0.757698 0.586524 Mg\n0.000000 0.500000 0.831796 Mg\n0.500000 0.759507 0.917642 Mg\n0.500000 0.240493 0.917642 Mg\n0.500000 0.500000 0.666057 Mg\n0.500000 0.500000 0.177649 Ti\n0.500000 0.000000 0.677649 Ti\n0.000000 0.500000 0.316166 Cu\n0.000000 0.000000 0.816166 Cu\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ti",
                "Cu"
            ],
            "chemical_system": "Cu-Mg-Ti",
            "density": 2.648616076266586,
            "density_atomic": 0.049603958392612044,
            "volume": 322.55490324705664,
            "volume_molar": 12.140443938637226,
            "formula_full": "Mg12 Ti2 Cu2",
            "formula_reduced": "Mg6TiCu",
            "formula_anonymous": "ABC6",
            "energy": -41.41447956,
            "energy_per_atom": -2.5884049725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.41447956,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.5729769,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:34.356000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-707273",
            "created_at": "2022-09-04T14:41:14.134147Z",
            "structure_string": "U2 B8 H32\n1.0\n3.942749 -3.949622 0.000000\n3.942749 3.949622 0.000000\n0.000000 0.000000 11.973490\nU B H\n2 8 32\ndirect\n0.720696 0.279304 0.250000 U\n0.279304 0.720696 0.750000 U\n0.219295 0.346743 0.250000 B\n0.346743 0.219295 0.750000 B\n0.780705 0.653257 0.750000 B\n0.653257 0.780705 0.250000 B\n0.774141 0.225859 0.043184 B\n0.225859 0.774141 0.956816 B\n0.774141 0.225859 0.456816 B\n0.225859 0.774141 0.543184 B\n0.078000 0.516517 0.250000 H\n0.516517 0.078000 0.750000 H\n0.922000 0.483483 0.750000 H\n0.483483 0.922000 0.250000 H\n0.113709 0.151028 0.250000 H\n0.151028 0.113709 0.750000 H\n0.886291 0.848972 0.750000 H\n0.848972 0.886291 0.250000 H\n0.340198 0.356505 0.336125 H\n0.356505 0.340198 0.663875 H\n0.340198 0.356505 0.163875 H\n0.356505 0.340198 0.836125 H\n0.659802 0.643495 0.663875 H\n0.643495 0.659802 0.336125 H\n0.659802 0.643495 0.836125 H\n0.643495 0.659802 0.163875 H\n0.904124 0.095876 0.102690 H\n0.095876 0.904124 0.897310 H\n0.904124 0.095876 0.397310 H\n0.095876 0.904124 0.602690 H\n0.820736 0.432366 0.076467 H\n0.432366 0.820736 0.923533 H\n0.820736 0.432366 0.423533 H\n0.432366 0.820736 0.576467 H\n0.179264 0.567634 0.923533 H\n0.567634 0.179264 0.076467 H\n0.179264 0.567634 0.576467 H\n0.567634 0.179264 0.423533 H\n0.200157 0.799843 0.055217 H\n0.799843 0.200157 0.944783 H\n0.200157 0.799843 0.444783 H\n0.799843 0.200157 0.555217 H\n",
            "nsites": 42,
            "nelements": 3,
            "elements": [
                "U",
                "B",
                "H"
            ],
            "chemical_system": "B-H-U",
            "density": 2.6485889891566914,
            "density_atomic": 0.11262735248798618,
            "volume": 372.91118961959165,
            "volume_molar": 5.346961130638648,
            "formula_full": "U2 B8 H32",
            "formula_reduced": "U(BH4)4",
            "formula_anonymous": "AB4C16",
            "energy": -195.73946645,
            "energy_per_atom": -4.660463486904762,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -190.01146645,
            "band_gap": 0.2136999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0004285,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:16.950000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-760318",
            "created_at": "2022-09-04T14:45:15.163174Z",
            "structure_string": "Na40 Fe8 O32\n1.0\n10.351011 0.000000 0.000000\n0.000000 10.605932 0.000000\n0.000000 0.000000 10.727190\nNa Fe O\n40 8 32\ndirect\n0.852232 0.385559 0.103326 Na\n0.352232 0.114441 0.103326 Na\n0.164474 0.892594 0.113226 Na\n0.664474 0.607406 0.113226 Na\n0.634881 0.153346 0.118122 Na\n0.134881 0.346654 0.118122 Na\n0.910625 0.123007 0.146213 Na\n0.410625 0.376993 0.146213 Na\n0.599701 0.879231 0.160658 Na\n0.099701 0.620769 0.160658 Na\n0.099701 0.120769 0.339342 Na\n0.599701 0.379231 0.339342 Na\n0.410625 0.876993 0.353787 Na\n0.910625 0.623007 0.353787 Na\n0.634881 0.653346 0.381878 Na\n0.134881 0.846654 0.381878 Na\n0.164474 0.392594 0.386774 Na\n0.664474 0.107406 0.386774 Na\n0.852232 0.885559 0.396674 Na\n0.352232 0.614441 0.396674 Na\n0.647768 0.385559 0.603326 Na\n0.147768 0.114441 0.603326 Na\n0.335526 0.892594 0.613226 Na\n0.835526 0.607406 0.613226 Na\n0.365119 0.346654 0.618122 Na\n0.865119 0.153346 0.618122 Na\n0.089375 0.376993 0.646213 Na\n0.589375 0.123007 0.646213 Na\n0.900299 0.879231 0.660658 Na\n0.400299 0.620769 0.660658 Na\n0.900299 0.379231 0.839342 Na\n0.400299 0.120769 0.839342 Na\n0.589375 0.623007 0.853787 Na\n0.089375 0.876993 0.853787 Na\n0.365119 0.846654 0.881878 Na\n0.865119 0.653346 0.881878 Na\n0.335526 0.392594 0.886774 Na\n0.835526 0.107406 0.886774 Na\n0.647768 0.885559 0.896674 Na\n0.147768 0.614441 0.896674 Na\n0.883768 0.854488 0.127496 Fe\n0.383768 0.645512 0.127496 Fe\n0.883768 0.354488 0.372504 Fe\n0.383768 0.145512 0.372504 Fe\n0.616232 0.854488 0.627496 Fe\n0.116232 0.645512 0.627496 Fe\n0.616232 0.354488 0.872504 Fe\n0.116232 0.145512 0.872504 Fe\n0.497740 0.739677 0.019004 O\n0.997740 0.760323 0.019004 O\n0.769549 0.977383 0.049634 O\n0.269549 0.522617 0.049634 O\n0.994135 0.949230 0.241344 O\n0.494135 0.550770 0.241344 O\n0.775123 0.754847 0.235928 O\n0.275123 0.745153 0.235928 O\n0.775123 0.254847 0.264072 O\n0.275123 0.245153 0.264072 O\n0.994135 0.449230 0.258656 O\n0.494135 0.050770 0.258656 O\n0.769549 0.477383 0.450366 O\n0.269549 0.022617 0.450366 O\n0.497740 0.239677 0.480996 O\n0.997740 0.260323 0.480996 O\n0.002260 0.739677 0.519004 O\n0.502260 0.760323 0.519004 O\n0.730451 0.977383 0.549634 O\n0.230451 0.522617 0.549634 O\n0.005865 0.550770 0.741344 O\n0.505865 0.949230 0.741344 O\n0.724877 0.754847 0.735928 O\n0.224877 0.745153 0.735928 O\n0.724877 0.254847 0.764072 O\n0.224877 0.245153 0.764072 O\n0.005865 0.050770 0.758656 O\n0.505865 0.449230 0.758656 O\n0.230451 0.022617 0.950366 O\n0.730451 0.477383 0.950366 O\n0.002260 0.239677 0.980996 O\n0.502260 0.260323 0.980996 O\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "Na",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Na-O",
            "density": 2.6485231562848743,
            "density_atomic": 0.06793168790146732,
            "volume": 1177.6536469406938,
            "volume_molar": 8.864995035505252,
            "formula_full": "Na40 Fe8 O32",
            "formula_reduced": "Na5FeO4",
            "formula_anonymous": "AB4C5",
            "energy": -410.19532544,
            "energy_per_atom": -5.127441568,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -370.16332544,
            "band_gap": 1.7893,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 40.0000003,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:55.562000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1212270",
            "created_at": "2022-09-04T14:43:53.862241Z",
            "structure_string": "Li12 Lu4 N24 O72\n1.0\n7.567619 0.000000 0.000000\n0.000000 7.818397 0.000000\n0.000000 7.293897 24.068592\nLi Lu N O\n12 4 24 72\ndirect\n0.184233 0.927717 0.366015 Li\n0.815767 0.072283 0.633985 Li\n0.684233 0.072283 0.133985 Li\n0.315767 0.927717 0.866015 Li\n0.442075 0.744305 0.254680 Li\n0.557925 0.255695 0.745320 Li\n0.942075 0.255695 0.245320 Li\n0.057925 0.744305 0.754680 Li\n0.710074 0.783397 0.474017 Li\n0.289926 0.216603 0.525983 Li\n0.210074 0.216603 0.025983 Li\n0.789926 0.783397 0.974017 Li\n0.693965 0.366968 0.390319 Lu\n0.306035 0.633032 0.609681 Lu\n0.193965 0.633032 0.109681 Lu\n0.806035 0.366968 0.890319 Lu\n0.201805 0.000057 0.264632 N\n0.798195 0.999943 0.735368 N\n0.701805 0.999943 0.235368 N\n0.298195 0.000057 0.764632 N\n0.697968 0.468278 0.270756 N\n0.302032 0.531722 0.729244 N\n0.197968 0.531722 0.229244 N\n0.802032 0.468278 0.770756 N\n0.505769 0.799749 0.054439 N\n0.494231 0.200251 0.945561 N\n0.005769 0.200251 0.445561 N\n0.994231 0.799749 0.554439 N\n0.872589 0.535548 0.064290 N\n0.127411 0.464452 0.935710 N\n0.372589 0.464452 0.435710 N\n0.627411 0.535548 0.564290 N\n0.884862 0.679571 0.393362 N\n0.115138 0.320429 0.606638 N\n0.384862 0.320429 0.106638 N\n0.615138 0.679571 0.893362 N\n0.993692 0.954636 0.097594 N\n0.006308 0.045364 0.902406 N\n0.493692 0.045364 0.402406 N\n0.506308 0.954636 0.597594 N\n0.603090 0.547712 0.299107 O\n0.396910 0.452288 0.700893 O\n0.103090 0.452288 0.200893 O\n0.896910 0.547712 0.799107 O\n0.474617 0.804033 0.103784 O\n0.525383 0.195967 0.896216 O\n0.974617 0.195967 0.396216 O\n0.025383 0.804033 0.603784 O\n0.390312 0.720509 0.032509 O\n0.609688 0.279491 0.967491 O\n0.890312 0.279491 0.467491 O\n0.109688 0.720509 0.532509 O\n0.699732 0.511117 0.219976 O\n0.300268 0.488883 0.780024 O\n0.199732 0.488883 0.280024 O\n0.800268 0.511117 0.719976 O\n0.736768 0.500893 0.042393 O\n0.263232 0.499107 0.957607 O\n0.236768 0.499107 0.457607 O\n0.763232 0.500893 0.542393 O\n0.952049 0.807795 0.132880 O\n0.047951 0.192205 0.867120 O\n0.452049 0.192205 0.367120 O\n0.547951 0.807795 0.632880 O\n0.641180 0.868982 0.029003 O\n0.358820 0.131018 0.970997 O\n0.141180 0.131018 0.470997 O\n0.858820 0.868982 0.529003 O\n0.703755 0.958688 0.286712 O\n0.296245 0.041312 0.713288 O\n0.203755 0.041312 0.213288 O\n0.796245 0.958688 0.786712 O\n0.360841 0.954896 0.570759 O\n0.639159 0.045104 0.429241 O\n0.860841 0.045104 0.929241 O\n0.139159 0.954896 0.070759 O\n0.966472 0.808055 0.400779 O\n0.033528 0.191945 0.599221 O\n0.466472 0.191945 0.099221 O\n0.533528 0.808055 0.900779 O\n0.980280 0.661377 0.035819 O\n0.019720 0.338623 0.964181 O\n0.480280 0.338623 0.464181 O\n0.519720 0.661377 0.535819 O\n0.918341 0.459407 0.113651 O\n0.081659 0.540593 0.886349 O\n0.418341 0.540593 0.386349 O\n0.581659 0.459407 0.613651 O\n0.791822 0.337980 0.301123 O\n0.208178 0.662020 0.698877 O\n0.291822 0.662020 0.198877 O\n0.708178 0.337980 0.801123 O\n0.402172 0.908361 0.411855 O\n0.597828 0.091639 0.588145 O\n0.902172 0.091639 0.088145 O\n0.097828 0.908361 0.911855 O\n0.935737 0.588123 0.362197 O\n0.064263 0.411877 0.637803 O\n0.435737 0.411877 0.137803 O\n0.564263 0.588123 0.862197 O\n0.737129 0.631383 0.419259 O\n0.262871 0.368617 0.580741 O\n0.237129 0.368617 0.080741 O\n0.762871 0.631383 0.919259 O\n0.608400 0.914243 0.208820 O\n0.391600 0.085757 0.791180 O\n0.108400 0.085757 0.291180 O\n0.891600 0.914243 0.708820 O\n0.291817 0.869388 0.295232 O\n0.708183 0.130612 0.704768 O\n0.791817 0.130612 0.204768 O\n0.208183 0.869388 0.795232 O\n",
            "nsites": 112,
            "nelements": 4,
            "elements": [
                "Li",
                "Lu",
                "N",
                "O"
            ],
            "chemical_system": "Li-Lu-N-O",
            "density": 2.6484492308793306,
            "density_atomic": 0.07864848470275283,
            "volume": 1424.057951317145,
            "volume_molar": 7.657033422525959,
            "formula_full": "Li12 Lu4 N24 O72",
            "formula_reduced": "Li3Lu(NO3)6",
            "formula_anonymous": "AB3C6D18",
            "energy": -757.68588317,
            "energy_per_atom": -6.765052528303571,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -708.22188317,
            "band_gap": 3.1118,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0842668,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:21.810000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-772410",
            "created_at": "2022-09-04T14:43:58.214321Z",
            "structure_string": "Ti3 S6 O24\n1.0\n7.841691 -4.179193 0.000000\n7.841691 4.179193 0.000000\n5.614410 0.000000 6.887393\nTi S O\n3 6 24\ndirect\n0.147290 0.147290 0.147290 Ti\n0.644258 0.644258 0.644258 Ti\n0.850688 0.850688 0.850688 Ti\n0.046595 0.458549 0.747849 S\n0.458549 0.747849 0.046595 S\n0.747849 0.046595 0.458549 S\n0.254931 0.964705 0.533926 S\n0.533926 0.254931 0.964705 S\n0.964705 0.533926 0.254931 S\n0.116324 0.517892 0.283210 O\n0.283210 0.116324 0.517892 O\n0.012632 0.326688 0.961584 O\n0.517892 0.283210 0.116324 O\n0.013903 0.652711 0.730534 O\n0.234345 0.378691 0.623942 O\n0.378691 0.623942 0.234345 O\n0.326688 0.961584 0.012632 O\n0.623942 0.234345 0.378691 O\n0.055722 0.956601 0.679332 O\n0.273274 0.981062 0.346119 O\n0.346119 0.273274 0.981062 O\n0.652711 0.730534 0.013903 O\n0.730534 0.013903 0.652711 O\n0.961584 0.012632 0.326688 O\n0.398278 0.765533 0.603944 O\n0.679332 0.055722 0.956601 O\n0.603944 0.398278 0.765533 O\n0.765533 0.603944 0.398278 O\n0.981062 0.346119 0.273274 O\n0.491682 0.711256 0.880913 O\n0.956601 0.679332 0.055722 O\n0.711256 0.880913 0.491682 O\n0.880913 0.491682 0.711256 O\n",
            "nsites": 33,
            "nelements": 3,
            "elements": [
                "Ti",
                "S",
                "O"
            ],
            "chemical_system": "O-S-Ti",
            "density": 2.6483810133600665,
            "density_atomic": 0.0731016073834279,
            "volume": 451.4264621694363,
            "volume_molar": 8.238041509009577,
            "formula_full": "Ti3 S6 O24",
            "formula_reduced": "Ti(SO4)2",
            "formula_anonymous": "AB2C8",
            "energy": -240.20133353,
            "energy_per_atom": -7.278828288787879,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -223.71333353,
            "band_gap": 2.2732,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.7e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:09.679000Z",
            "spacegroup": 146
        }
    ]
}