GET /third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=26
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=27",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=25",
    "results": [
        {
            "id": "mp-1521929",
            "created_at": "2022-09-04T14:48:13.625743Z",
            "structure_string": "Na1 La1 Zr1 Ti1 O6\n1.0\n0.000000 -4.033476 -4.033476\n4.033476 0.000000 -4.033476\n4.033476 -4.033476 0.000000\nNa La Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 -0.000000 Ti\n0.757887 0.242113 0.242113 O\n0.242113 0.757887 0.757887 O\n0.757887 0.242113 0.757887 O\n0.242113 0.757887 0.242113 O\n0.757887 0.757887 0.242113 O\n0.242113 0.242113 0.757887 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Na",
                "La",
                "Zr",
                "Ti",
                "O"
            ],
            "chemical_system": "La-Na-O-Ti-Zr",
            "density": 5.022872857264143,
            "density_atomic": 0.07619589469036309,
            "volume": 131.2406664510858,
            "volume_molar": 7.903497668046484,
            "formula_full": "Na1 La1 Zr1 Ti1 O6",
            "formula_reduced": "NaLaZrTiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -86.45480554,
            "energy_per_atom": -8.645480553999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -82.33280554000001,
            "band_gap": 2.2686,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:46.617000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1233215",
            "created_at": "2022-09-04T14:48:05.329956Z",
            "structure_string": "Rb1 Mg1 Cu2 H3 S2 O10\n1.0\n-4.569596 -2.785425 2.513835\n5.054952 -3.603550 -2.785336\n4.145822 -3.239468 5.781221\nRb Mg Cu H S O\n1 1 2 3 2 10\ndirect\n0.484197 0.993278 0.496688 Rb\n0.238308 0.231779 0.013389 Mg\n0.966168 0.516510 0.031154 Cu\n0.511326 0.811784 0.981951 Cu\n0.757664 0.540717 0.747242 H\n0.211506 0.426201 0.260218 H\n0.696532 0.649717 0.881195 H\n0.074830 0.237031 0.703951 S\n0.914951 0.774963 0.306428 S\n0.764740 0.107646 0.766394 O\n0.196153 0.446772 0.766317 O\n0.225216 0.941215 0.209189 O\n0.792991 0.542121 0.278185 O\n0.692520 0.499622 0.885523 O\n0.242317 0.469801 0.122978 O\n0.148108 0.063833 0.813199 O\n0.819007 0.934233 0.205407 O\n0.171557 0.321185 0.500351 O\n0.857700 0.722987 0.509242 O\n",
            "nsites": 19,
            "nelements": 6,
            "elements": [
                "Rb",
                "Mg",
                "Cu",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Cu-H-Mg-O-Rb-S",
            "density": 3.1272536097142867,
            "density_atomic": 0.07711481366435445,
            "volume": 246.38586410515518,
            "volume_molar": 7.809317657449873,
            "formula_full": "Rb1 Mg1 Cu2 H3 S2 O10",
            "formula_reduced": "RbMgCu2H3(SO5)2",
            "formula_anonymous": "ABC2D2E3F10",
            "energy": -110.91943635,
            "energy_per_atom": -5.837865071052631,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -104.04943635,
            "band_gap": 1.7792,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:29.438000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-6782",
            "created_at": "2022-09-04T14:48:17.403534Z",
            "structure_string": "Li2 Zr1 Te1 O6\n1.0\n4.923564 -2.622908 0.000000\n4.923564 2.622908 0.000000\n3.526273 0.000000 4.322791\nLi Zr Te O\n2 1 1 6\ndirect\n0.276480 0.276480 0.276480 Li\n0.787412 0.787412 0.787412 Li\n0.000861 0.000861 0.000861 Zr\n0.496260 0.496260 0.496260 Te\n0.608216 0.860531 0.241131 O\n0.126630 0.715741 0.388738 O\n0.388738 0.126630 0.715741 O\n0.715741 0.388738 0.126630 O\n0.860531 0.241131 0.608216 O\n0.241131 0.608216 0.860531 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Li",
                "Zr",
                "Te",
                "O"
            ],
            "chemical_system": "Li-O-Te-Zr",
            "density": 4.888719201765653,
            "density_atomic": 0.08956598789458682,
            "volume": 111.64952494879341,
            "volume_molar": 6.723691550287658,
            "formula_full": "Li2 Zr1 Te1 O6",
            "formula_reduced": "Li2ZrTeO6",
            "formula_anonymous": "ABC2D6",
            "energy": -70.16326739,
            "energy_per_atom": -7.016326739,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.04126739,
            "band_gap": 2.7792,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:00.811000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-1407206",
            "created_at": "2022-09-04T14:48:05.752490Z",
            "structure_string": "Li2 B2 H8\n1.0\n4.072911 0.000000 0.000000\n-0.000264 4.080363 0.000000\n-0.010607 -0.019123 5.066643\nLi B H\n2 2 8\ndirect\n0.748214 0.759068 0.749589 Li\n0.251786 0.240932 0.250411 Li\n0.257685 0.244246 0.751489 B\n0.742315 0.755754 0.248511 B\n0.757361 0.507400 0.388262 H\n0.995557 0.748982 0.109633 H\n0.756012 0.001259 0.381695 H\n0.243988 0.998741 0.618305 H\n0.004443 0.251018 0.890367 H\n0.505484 0.249968 0.887766 H\n0.242639 0.492600 0.611738 H\n0.494516 0.750032 0.112234 H\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Li",
                "B",
                "H"
            ],
            "chemical_system": "B-H-Li",
            "density": 0.8591874231450204,
            "density_atomic": 0.14251389851492313,
            "volume": 84.20231377463467,
            "volume_molar": 4.225651548904475,
            "formula_full": "Li2 B2 H8",
            "formula_reduced": "LiBH4",
            "formula_anonymous": "ABC4",
            "energy": -49.158293920000006,
            "energy_per_atom": -4.096524493333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -47.72629392,
            "band_gap": 5.483,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:26.093000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1522142",
            "created_at": "2022-09-04T14:48:24.668651Z",
            "structure_string": "Sr1 Pr1 Zn1 Bi1 O6\n1.0\n0.000000 -4.118356 -4.118356\n4.118356 0.000000 -4.118356\n4.118356 -4.118356 0.000000\nSr Pr Zn Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n0.746261 0.253739 0.253739 O\n0.253739 0.746261 0.746261 O\n0.746261 0.253739 0.746261 O\n0.253739 0.746261 0.253739 O\n0.746261 0.746261 0.253739 O\n0.253739 0.253739 0.746261 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Sr",
                "Pr",
                "Zn",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O-Pr-Sr-Zn",
            "density": 7.118877375839973,
            "density_atomic": 0.07158109677667615,
            "volume": 139.70168732114735,
            "volume_molar": 8.413032254574567,
            "formula_full": "Sr1 Pr1 Zn1 Bi1 O6",
            "formula_reduced": "SrPrZnBiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -63.98511293,
            "energy_per_atom": -6.398511293,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -59.86311293,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:00.188000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1238590",
            "created_at": "2022-09-04T14:39:12.108014Z",
            "structure_string": "As8 H24 C8 O16 F48\n1.0\n8.254296 0.000000 0.000000\n0.000000 9.786135 0.000000\n0.000000 0.000000 16.195539\nAs H C O F\n8 24 8 16 48\ndirect\n0.355556 0.495835 0.156681 As\n0.644444 0.995835 0.343319 As\n0.144444 0.504165 0.656681 As\n0.855556 0.004165 0.843319 As\n0.644444 0.504165 0.843319 As\n0.355556 0.004165 0.656681 As\n0.855556 0.495835 0.343319 As\n0.144444 0.995835 0.156681 As\n0.253792 0.791501 0.485652 H\n0.746208 0.291501 0.014348 H\n0.246208 0.208499 0.985652 H\n0.753792 0.708499 0.514348 H\n0.746208 0.208499 0.514348 H\n0.253792 0.708499 0.985652 H\n0.753792 0.791501 0.014348 H\n0.246208 0.291501 0.485652 H\n0.388039 0.644392 0.345813 H\n0.611961 0.144392 0.154187 H\n0.111961 0.355608 0.845813 H\n0.888039 0.855608 0.654187 H\n0.611961 0.355608 0.654187 H\n0.388039 0.855608 0.845813 H\n0.888039 0.644392 0.154187 H\n0.111961 0.144392 0.345813 H\n0.174247 0.803378 0.309464 H\n0.825753 0.303378 0.190536 H\n0.325753 0.196622 0.809464 H\n0.674247 0.696622 0.690536 H\n0.825753 0.196622 0.690536 H\n0.174247 0.696622 0.809464 H\n0.674247 0.803378 0.190536 H\n0.325753 0.303378 0.309464 H\n0.266096 0.762007 0.420787 C\n0.733904 0.262007 0.079213 C\n0.233904 0.237993 0.920787 C\n0.766096 0.737993 0.579213 C\n0.733904 0.237993 0.579213 C\n0.266096 0.737993 0.920787 C\n0.766096 0.762007 0.079213 C\n0.233904 0.262007 0.420787 C\n0.166012 0.817537 0.371116 O\n0.833988 0.317537 0.128884 O\n0.333988 0.182463 0.871116 O\n0.666012 0.682463 0.628884 O\n0.833988 0.182463 0.628884 O\n0.166012 0.682463 0.871116 O\n0.666012 0.817537 0.128884 O\n0.333988 0.317537 0.371116 O\n0.379226 0.676221 0.404740 O\n0.620774 0.176221 0.095260 O\n0.120774 0.323779 0.904740 O\n0.879226 0.823779 0.595260 O\n0.620774 0.323779 0.595260 O\n0.379226 0.823779 0.904740 O\n0.879226 0.676221 0.095260 O\n0.120774 0.176221 0.404740 O\n0.342740 0.653364 0.104737 F\n0.657260 0.153364 0.395263 F\n0.157260 0.346636 0.604737 F\n0.842740 0.846636 0.895263 F\n0.657260 0.346636 0.895263 F\n0.342740 0.846636 0.604737 F\n0.842740 0.653364 0.395263 F\n0.157260 0.153364 0.104737 F\n0.354851 0.404762 0.062971 F\n0.645149 0.904762 0.437029 F\n0.145149 0.595238 0.562971 F\n0.854851 0.095238 0.937029 F\n0.645149 0.595238 0.937029 F\n0.354851 0.095238 0.562971 F\n0.854851 0.404762 0.437029 F\n0.145149 0.904762 0.062971 F\n0.373438 0.336969 0.213375 F\n0.626562 0.836969 0.286625 F\n0.126562 0.663031 0.713375 F\n0.873438 0.163031 0.786625 F\n0.626562 0.663031 0.786625 F\n0.373438 0.163031 0.713375 F\n0.873438 0.336969 0.286625 F\n0.126562 0.836969 0.213375 F\n0.360444 0.587507 0.253756 F\n0.639556 0.087507 0.246244 F\n0.139556 0.412493 0.753756 F\n0.860444 0.912493 0.746244 F\n0.639556 0.412493 0.746244 F\n0.360444 0.912493 0.753756 F\n0.860444 0.587507 0.246244 F\n0.139556 0.087507 0.253756 F\n0.569315 0.503825 0.153450 F\n0.430685 0.003825 0.346550 F\n0.930685 0.496175 0.653450 F\n0.069315 0.996175 0.846550 F\n0.430685 0.496175 0.846550 F\n0.569315 0.996175 0.653450 F\n0.069315 0.503825 0.346550 F\n0.930685 0.003825 0.153450 F\n0.144472 0.484659 0.164476 F\n0.855528 0.984659 0.335524 F\n0.355528 0.515341 0.664476 F\n0.644472 0.015341 0.835524 F\n0.855528 0.515341 0.835524 F\n0.144472 0.015341 0.664476 F\n0.644472 0.484659 0.335524 F\n0.355528 0.984659 0.164476 F\n",
            "nsites": 104,
            "nelements": 5,
            "elements": [
                "As",
                "H",
                "C",
                "O",
                "F"
            ],
            "chemical_system": "As-C-F-H-O",
            "density": 2.3958732564145477,
            "density_atomic": 0.07949625901194454,
            "volume": 1308.2376616536596,
            "volume_molar": 7.575376294241916,
            "formula_full": "As8 H24 C8 O16 F48",
            "formula_reduced": "AsH3C(OF3)2",
            "formula_anonymous": "ABC2D3E6",
            "energy": -558.78417643,
            "energy_per_atom": -5.372924773365384,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -525.61617643,
            "band_gap": 5.238300000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.922000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-559142",
            "created_at": "2022-09-04T14:48:12.807970Z",
            "structure_string": "K8 Li8 P16 O48\n1.0\n7.014832 6.975573 0.000000\n-7.014832 6.975573 0.000000\n0.000000 0.057282 12.015139\nK Li P O\n8 8 16 48\ndirect\n0.778713 0.531110 0.955717 K\n0.468890 0.221287 0.544283 K\n0.998683 0.746487 0.471272 K\n0.221287 0.468890 0.044283 K\n0.531110 0.778713 0.455717 K\n0.001317 0.253513 0.528728 K\n0.253513 0.001317 0.028728 K\n0.746487 0.998683 0.971272 K\n0.611819 0.772102 0.127587 Li\n0.255982 0.882671 0.567845 Li\n0.117329 0.744018 0.932155 Li\n0.388181 0.227898 0.872413 Li\n0.227898 0.388181 0.372413 Li\n0.772102 0.611819 0.627587 Li\n0.882671 0.255982 0.067845 Li\n0.744018 0.117329 0.432155 Li\n0.480189 0.519811 0.250000 P\n0.034326 0.965674 0.750000 P\n0.551495 0.289477 0.098975 P\n0.469359 0.948023 0.751780 P\n0.710523 0.448505 0.401025 P\n0.289477 0.551495 0.598975 P\n0.530641 0.051977 0.248220 P\n0.948023 0.469359 0.251780 P\n0.247024 0.053873 0.336732 P\n0.946127 0.752976 0.163268 P\n0.519811 0.480189 0.750000 P\n0.051977 0.530641 0.748220 P\n0.053873 0.247024 0.836732 P\n0.965674 0.034326 0.250000 P\n0.752976 0.946127 0.663268 P\n0.448505 0.710523 0.901025 P\n0.052700 0.128969 0.742318 O\n0.555021 0.451971 0.357089 O\n0.947300 0.871031 0.257682 O\n0.450023 0.789617 0.782232 O\n0.580134 0.036204 0.365863 O\n0.334480 0.479382 0.258806 O\n0.549977 0.210383 0.217768 O\n0.965842 0.583937 0.656070 O\n0.086682 0.915498 0.859058 O\n0.479382 0.334480 0.758806 O\n0.034158 0.416063 0.343930 O\n0.128969 0.052700 0.242318 O\n0.444979 0.548029 0.642911 O\n0.235433 0.932622 0.411043 O\n0.741845 0.575358 0.464652 O\n0.963796 0.419866 0.134137 O\n0.036204 0.580134 0.865863 O\n0.575358 0.741845 0.964652 O\n0.258087 0.191154 0.388728 O\n0.808846 0.741913 0.111272 O\n0.915498 0.086682 0.359058 O\n0.419866 0.963796 0.634137 O\n0.067378 0.764567 0.088957 O\n0.367656 0.031664 0.245625 O\n0.451971 0.555021 0.857089 O\n0.273410 0.685544 0.542099 O\n0.632344 0.968336 0.754375 O\n0.258155 0.424642 0.535348 O\n0.084502 0.913318 0.640942 O\n0.416063 0.034158 0.843930 O\n0.685544 0.273410 0.042099 O\n0.741913 0.808846 0.611272 O\n0.913318 0.084502 0.140942 O\n0.583937 0.965842 0.156070 O\n0.314456 0.726590 0.957901 O\n0.520618 0.665520 0.241194 O\n0.968336 0.632344 0.254375 O\n0.932622 0.235433 0.911043 O\n0.210383 0.549977 0.717768 O\n0.191154 0.258087 0.888728 O\n0.548029 0.444979 0.142911 O\n0.764567 0.067378 0.588957 O\n0.424642 0.258155 0.035348 O\n0.031664 0.367656 0.745625 O\n0.871031 0.947300 0.757682 O\n0.726590 0.314456 0.457901 O\n0.665520 0.520618 0.741194 O\n0.789617 0.450023 0.282232 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "P",
                "O"
            ],
            "chemical_system": "K-Li-O-P",
            "density": 2.3045045957007018,
            "density_atomic": 0.06803525696884012,
            "volume": 1175.8609221780362,
            "volume_molar": 8.851499984424425,
            "formula_full": "K8 Li8 P16 O48",
            "formula_reduced": "KLi(PO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -564.98579539,
            "energy_per_atom": -7.062322442375001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.00979539,
            "band_gap": 5.3696,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.209000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-640740",
            "created_at": "2022-09-04T14:39:12.063741Z",
            "structure_string": "Na24 B52 O90\n1.0\n9.300867 -0.000700 -2.538331\n-0.860582 10.236786 -3.152030\n0.008815 0.008064 18.349756\nNa B O\n24 52 90\ndirect\n0.389472 0.310578 0.908351 Na\n0.718777 0.321984 0.753585 Na\n0.587991 0.836568 0.407060 Na\n0.305838 0.197279 0.398925 Na\n0.035758 0.823828 0.753610 Na\n0.814897 0.332217 0.405925 Na\n0.695842 0.798363 0.600509 Na\n0.038762 0.224542 0.913407 Na\n0.506698 0.298079 0.257123 Na\n0.964922 0.314848 0.090264 Na\n0.496419 0.041569 0.745029 Na\n0.482077 0.899325 0.089846 Na\n0.282043 0.569163 0.246239 Na\n0.092823 0.698300 0.398365 Na\n0.518311 0.808572 0.910265 Na\n0.747558 0.798148 0.253922 Na\n0.876449 0.719669 0.909070 Na\n0.905071 0.299497 0.602296 Na\n0.248169 0.546329 0.745563 Na\n0.966223 0.068747 0.246039 Na\n0.410341 0.430225 0.592780 Na\n0.186276 0.926859 0.593333 Na\n0.611187 0.397606 0.088931 Na\n0.124256 0.814021 0.089381 Na\n0.922044 0.015987 0.047649 B\n0.603117 0.231456 0.540152 B\n0.792089 0.854642 0.087063 B\n0.567204 0.037498 0.308354 B\n0.431326 0.162362 0.605344 B\n0.104745 0.433359 0.535156 B\n0.581835 0.586012 0.764917 B\n0.893559 0.900218 0.466413 B\n0.691565 0.792335 0.770641 B\n0.063239 0.189322 0.460556 B\n0.817732 0.321089 0.234965 B\n0.428414 0.933133 0.534181 B\n0.416612 0.821199 0.234548 B\n0.182962 0.085879 0.765728 B\n0.660277 0.071812 0.610475 B\n0.339430 0.460167 0.387552 B\n0.271635 0.152989 0.130463 B\n0.741164 0.537997 0.308338 B\n0.918688 0.087699 0.697396 B\n0.777915 0.586372 0.696826 B\n0.080983 0.390418 0.302461 B\n0.639881 0.117393 0.986055 B\n0.382215 0.598988 0.123440 B\n0.873379 0.465786 0.952204 B\n0.432863 0.728520 0.690705 B\n0.257355 0.974562 0.876664 B\n0.618999 0.474556 0.876188 B\n0.173673 0.662271 0.605566 B\n0.702770 0.265684 0.911909 B\n0.950069 0.571870 0.611300 B\n0.568807 0.556874 0.393838 B\n0.297596 0.354472 0.088078 B\n0.258794 0.227149 0.691255 B\n0.345457 0.619302 0.987277 B\n0.360651 0.130687 0.013996 B\n0.730879 0.021905 0.870425 B\n0.918802 0.522121 0.228279 B\n0.078790 0.968243 0.952189 B\n0.743016 0.099344 0.123367 B\n0.395048 0.689264 0.458916 B\n0.080944 0.292958 0.771351 B\n0.571807 0.400504 0.465335 B\n0.221900 0.891149 0.303241 B\n0.140504 0.523251 0.871141 B\n0.825424 0.055723 0.394343 B\n0.935940 0.731157 0.541208 B\n0.860393 0.652205 0.128945 B\n0.309303 0.022569 0.229064 B\n0.654129 0.631742 0.013193 B\n0.207181 0.767172 0.912786 B\n0.049454 0.960779 0.389200 B\n0.127102 0.515084 0.048067 B\n0.655821 0.713338 0.816757 O\n0.322857 0.803580 0.286994 O\n0.951186 0.595610 0.178221 O\n0.919171 0.173979 0.454899 O\n0.879393 0.783869 0.140371 O\n0.892033 0.888494 0.043043 O\n0.696019 0.107609 0.353842 O\n0.263543 0.000890 0.805048 O\n0.554329 0.902748 0.289724 O\n0.785321 0.023829 0.655931 O\n0.604425 0.332289 0.864964 O\n0.872166 0.522367 0.657053 O\n0.963916 0.303347 0.287242 O\n0.737289 0.196592 0.195580 O\n0.352609 0.811039 0.494168 O\n0.140588 0.311170 0.495913 O\n0.329040 0.739177 0.974369 O\n0.291216 0.587709 0.426906 O\n0.002177 0.047626 0.000847 O\n0.135945 0.088480 0.428397 O\n0.152621 0.388088 0.044740 O\n0.564342 0.551509 0.943929 O\n0.129177 0.866880 0.344009 O\n0.786320 0.722317 0.721484 O\n0.079508 0.720784 0.545714 O\n0.619913 0.107568 0.055628 O\n0.706599 0.159732 0.570513 O\n0.533984 0.674838 0.453681 O\n0.736747 0.142048 0.858640 O\n0.541745 0.501033 0.804559 O\n0.220715 0.618799 0.098379 O\n0.215143 0.365871 0.342064 O\n0.675636 0.007617 0.931622 O\n0.935702 0.224084 0.722648 O\n0.026796 0.904648 0.453153 O\n0.343161 0.896922 0.182595 O\n0.640793 0.237040 0.972523 O\n0.879077 0.119517 0.098629 O\n0.215219 0.002804 0.279148 O\n0.772577 0.916804 0.820898 O\n0.908057 0.982130 0.340874 O\n0.091409 0.642585 0.659315 O\n0.380433 0.049413 0.945095 O\n0.107693 0.845248 0.956726 O\n0.736327 0.402839 0.290771 O\n0.120332 0.643495 0.859860 O\n0.437253 0.608305 0.055893 O\n0.838268 0.396159 0.182538 O\n0.256237 0.509059 0.932433 O\n0.433307 0.482428 0.339981 O\n0.425236 0.403346 0.451118 O\n0.740532 0.967793 0.134142 O\n0.657183 0.608258 0.353073 O\n0.120552 0.019315 0.900536 O\n0.458853 0.697114 0.195344 O\n0.863260 0.660412 0.572198 O\n0.647090 0.320418 0.507060 O\n0.327550 0.076994 0.069843 O\n0.832947 0.603445 0.281737 O\n0.035972 0.016524 0.713300 O\n0.062981 0.502254 0.278350 O\n0.464700 0.222049 0.545508 O\n0.228742 0.098141 0.180008 O\n0.000239 0.544387 0.999836 O\n0.669828 0.764796 0.025933 O\n0.786417 0.969805 0.437346 O\n0.650786 0.471883 0.437729 O\n0.971321 0.451537 0.547563 O\n0.574598 0.950567 0.547173 O\n0.743410 0.577010 0.068131 O\n0.266314 0.111359 0.710673 O\n0.350257 0.032962 0.561685 O\n0.443555 0.613047 0.710312 O\n0.859116 0.820349 0.507935 O\n0.396534 0.467759 0.134353 O\n0.552913 0.818569 0.715215 O\n0.567458 0.141893 0.658684 O\n0.780545 0.517689 0.900443 O\n0.211169 0.532805 0.562729 O\n0.259271 0.831954 0.865301 O\n0.356452 0.263963 0.026155 O\n0.674408 0.515328 0.711470 O\n0.304278 0.753644 0.645226 O\n0.448547 0.103758 0.283451 O\n0.847042 0.343487 0.956874 O\n0.164698 0.318055 0.716315 O\n0.341887 0.252749 0.646143 O\n0.161751 0.213921 0.817744 O\n0.050931 0.418387 0.820094 O\n0.265142 0.284555 0.141837 O\n",
            "nsites": 166,
            "nelements": 3,
            "elements": [
                "Na",
                "B",
                "O"
            ],
            "chemical_system": "B-Na-O",
            "density": 2.4266862308414434,
            "density_atomic": 0.09498902089364664,
            "volume": 1747.5703869593517,
            "volume_molar": 6.339828227877641,
            "formula_full": "Na24 B52 O90",
            "formula_reduced": "Na12B26O45",
            "formula_anonymous": "A12B26C45",
            "energy": -1280.21344714,
            "energy_per_atom": -7.712129199638554,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1218.38344714,
            "band_gap": 4.9737,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:36.805000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1520172",
            "created_at": "2022-09-04T14:48:28.332386Z",
            "structure_string": "Ba2 Ca1 Cr1 O6\n1.0\n-0.000000 -4.153876 -4.153876\n4.153876 -0.000000 -4.153876\n4.153876 -4.153876 0.000000\nBa Ca Cr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Cr\n0.724404 0.275596 0.275596 O\n0.275596 0.724404 0.724404 O\n0.724404 0.275596 0.724404 O\n0.275596 0.724404 0.275596 O\n0.724404 0.724404 0.275596 O\n0.275596 0.275596 0.724404 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "Ca",
                "Cr",
                "O"
            ],
            "chemical_system": "Ba-Ca-Cr-O",
            "density": 5.360200225069144,
            "density_atomic": 0.06976047360428356,
            "volume": 143.34765065852366,
            "volume_molar": 8.632597298809362,
            "formula_full": "Ba2 Ca1 Cr1 O6",
            "formula_reduced": "Ba2CaCrO6",
            "formula_anonymous": "ABC2D6",
            "energy": -71.2386944,
            "energy_per_atom": -7.12386944,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -65.1176944,
            "band_gap": 0.6019999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:49.695000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1111207",
            "created_at": "2022-09-04T14:48:24.753914Z",
            "structure_string": "K2 Rb1 Sc1 Cl6\n1.0\n0.000000 5.581160 5.581160\n5.581160 0.000000 5.581160\n5.581160 5.581160 0.000000\nK Rb Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.776625 0.223375 0.223375 Cl\n0.223375 0.223375 0.776625 Cl\n0.223375 0.776625 0.776625 Cl\n0.223375 0.776625 0.223375 Cl\n0.776625 0.223375 0.776625 Cl\n0.776625 0.776625 0.223375 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "K",
                "Rb",
                "Sc",
                "Cl"
            ],
            "chemical_system": "Cl-K-Rb-Sc",
            "density": 2.0122254329169085,
            "density_atomic": 0.02876051015760762,
            "volume": 347.69897839780975,
            "volume_molar": 20.938921900198096,
            "formula_full": "K2 Rb1 Sc1 Cl6",
            "formula_reduced": "K2RbScCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -44.08949835,
            "energy_per_atom": -4.408949835,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.40549835,
            "band_gap": 4.0698,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:36.508000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-6076",
            "created_at": "2022-09-04T14:48:12.749814Z",
            "structure_string": "Ca4 La1 B3 O10\n1.0\n8.114966 4.105378 0.000000\n-8.114966 4.105378 0.000000\n0.000000 0.722988 3.583346\nCa La B O\n4 1 3 10\ndirect\n0.903129 0.540973 0.670735 Ca\n0.540973 0.903129 0.670735 Ca\n0.235559 0.463986 0.333821 Ca\n0.463986 0.235559 0.333821 Ca\n0.995597 0.995597 0.001034 La\n0.842458 0.234770 0.088890 B\n0.234770 0.842458 0.088890 B\n0.610083 0.610083 0.709785 B\n0.757516 0.299881 0.273004 O\n0.044967 0.748480 0.096162 O\n0.299881 0.757516 0.273004 O\n0.361304 0.022458 0.891507 O\n0.022458 0.361304 0.891507 O\n0.173686 0.173686 0.417888 O\n0.599829 0.450861 0.757093 O\n0.450861 0.599829 0.757093 O\n0.783166 0.783166 0.614467 O\n0.748480 0.044967 0.096162 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Ca",
                "La",
                "B",
                "O"
            ],
            "chemical_system": "B-Ca-La-O",
            "density": 3.419335068896059,
            "density_atomic": 0.07539002884686642,
            "volume": 238.7583646713005,
            "volume_molar": 7.987980442655461,
            "formula_full": "Ca4 La1 B3 O10",
            "formula_reduced": "Ca4LaB3O10",
            "formula_anonymous": "AB3C4D10",
            "energy": -143.30124494,
            "energy_per_atom": -7.961180274444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -136.43124494,
            "band_gap": 4.3032,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:34.756000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-734582",
            "created_at": "2022-09-04T14:39:41.451218Z",
            "structure_string": "C16 S48\n1.0\n22.906306 0.000000 0.000000\n0.000000 5.918542 0.000000\n0.000000 0.019213 13.494606\nC S\n16 48\ndirect\n0.645325 0.550355 0.456102 C\n0.145325 0.449645 0.043898 C\n0.354675 0.449645 0.543898 C\n0.854675 0.550355 0.956102 C\n0.485433 0.062176 0.280521 C\n0.985433 0.937824 0.219479 C\n0.514567 0.937824 0.719479 C\n0.014567 0.062176 0.780521 C\n0.604495 0.518781 0.044087 C\n0.104495 0.481219 0.455913 C\n0.395505 0.481219 0.955913 C\n0.895505 0.518781 0.544087 C\n0.762928 0.079985 0.217473 C\n0.262928 0.920015 0.282527 C\n0.237072 0.920015 0.782527 C\n0.737072 0.079985 0.717473 C\n0.585432 0.662012 0.507426 S\n0.085432 0.337988 0.992574 S\n0.414568 0.337988 0.492574 S\n0.914568 0.662012 0.007426 S\n0.667549 0.295902 0.493773 S\n0.167549 0.704098 0.006227 S\n0.332451 0.704098 0.506227 S\n0.832451 0.295902 0.993773 S\n0.680739 0.695428 0.368455 S\n0.180739 0.304572 0.131545 S\n0.319261 0.304572 0.631545 S\n0.819261 0.695428 0.868455 S\n0.545598 0.179845 0.327886 S\n0.045598 0.820155 0.172114 S\n0.454402 0.820155 0.672114 S\n0.954402 0.179845 0.827886 S\n0.449575 0.190141 0.188460 S\n0.949575 0.809859 0.311540 S\n0.550425 0.809859 0.811540 S\n0.050425 0.190141 0.688460 S\n0.461379 0.817779 0.326861 S\n0.961379 0.182221 0.173139 S\n0.538621 0.182221 0.673139 S\n0.038621 0.817779 0.826861 S\n0.661853 0.645060 0.991176 S\n0.161853 0.354940 0.508824 S\n0.338147 0.354940 0.008824 S\n0.838147 0.645060 0.491176 S\n0.582578 0.268846 0.000551 S\n0.082578 0.731154 0.499449 S\n0.417422 0.731154 0.999449 S\n0.917422 0.268846 0.500551 S\n0.569955 0.640907 0.139020 S\n0.069955 0.359093 0.360980 S\n0.430045 0.359093 0.860980 S\n0.930045 0.640907 0.639020 S\n0.796343 0.240781 0.301491 S\n0.296343 0.759219 0.198509 S\n0.203657 0.759219 0.698509 S\n0.703657 0.240781 0.801491 S\n0.697719 0.155219 0.173009 S\n0.197719 0.844781 0.326991 S\n0.302281 0.844781 0.826991 S\n0.802281 0.155219 0.673009 S\n0.793909 0.841733 0.177334 S\n0.293909 0.158267 0.322666 S\n0.206091 0.158267 0.822666 S\n0.706091 0.841733 0.677334 S\n",
            "nsites": 64,
            "nelements": 2,
            "elements": [
                "C",
                "S"
            ],
            "chemical_system": "C-S",
            "density": 1.5714089344378854,
            "density_atomic": 0.03498242993844817,
            "volume": 1829.4898356863273,
            "volume_molar": 17.214758296081772,
            "formula_full": "C16 S48",
            "formula_reduced": "CS3",
            "formula_anonymous": "AB3",
            "energy": -324.98131832,
            "energy_per_atom": -5.07783309875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -300.83731832,
            "band_gap": 0.1160999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.003000Z",
            "spacegroup": 14
        }
    ]
}