GET /third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=113
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=formation_energy&page=114",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=112",
    "results": [
        {
            "id": "mp-1211798",
            "created_at": "2022-09-04T14:48:24.473450Z",
            "structure_string": "Lu4 P8 O8\n1.0\n-3.437477 3.437477 -7.804215\n3.437477 -3.437477 -7.804215\n-3.437477 -3.437477 7.804215\nLu P O\n4 8 8\ndirect\n0.875000 0.125000 0.250000 Lu\n0.875000 0.625000 0.750000 Lu\n0.375000 0.125000 0.250000 Lu\n0.875000 0.125000 0.750000 Lu\n0.641391 0.472030 0.830639 P\n0.641391 0.810753 0.169361 P\n0.560753 0.891391 0.669361 P\n0.108609 0.439247 0.330639 P\n0.108609 0.777970 0.669361 P\n0.222030 0.891391 0.330639 P\n0.189247 0.358609 0.830639 P\n0.527970 0.358609 0.169361 P\n0.742111 0.543553 0.801442 O\n0.742111 0.940669 0.198558 O\n0.690669 0.992111 0.698558 O\n0.007889 0.309331 0.301442 O\n0.007889 0.706447 0.698558 O\n0.293553 0.992111 0.301442 O\n0.059331 0.257889 0.801442 O\n0.456447 0.257889 0.198558 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Lu",
                "P",
                "O"
            ],
            "chemical_system": "Lu-O-P",
            "density": 4.842310022071798,
            "density_atomic": 0.054220207710036175,
            "volume": 368.8661634599012,
            "volume_molar": 11.10681978978347,
            "formula_full": "Lu4 P8 O8",
            "formula_reduced": "Lu(PO)2",
            "formula_anonymous": "AB2C2",
            "energy": -133.59823119,
            "energy_per_atom": -6.679911559500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -128.10223119,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.95e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:04.860000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-769575",
            "created_at": "2022-09-04T14:48:22.865700Z",
            "structure_string": "Li6 Co5 P8 O28\n1.0\n6.354949 0.000000 0.000000\n-0.409596 8.465433 0.000000\n-0.056340 -3.074846 9.569971\nLi Co P O\n6 5 8 28\ndirect\n0.000000 0.500000 0.500000 Li\n0.019166 0.162463 0.609325 Li\n0.093066 0.606953 0.124155 Li\n0.500000 0.500000 0.500000 Li\n0.906934 0.393047 0.875845 Li\n0.980834 0.837537 0.390675 Li\n0.311056 0.886770 0.643951 Co\n0.357368 0.881851 0.060275 Co\n0.500000 0.500000 0.000000 Co\n0.642632 0.118149 0.939725 Co\n0.688944 0.113230 0.356049 Co\n0.151743 0.206512 0.017132 P\n0.187274 0.181141 0.311296 P\n0.263947 0.540157 0.738363 P\n0.475425 0.754163 0.320308 P\n0.524575 0.245837 0.679692 P\n0.736053 0.459843 0.261637 P\n0.812726 0.818859 0.688704 P\n0.848257 0.793488 0.982868 P\n0.043784 0.838795 0.078028 O\n0.017677 0.084733 0.369776 O\n0.069152 0.424686 0.723058 O\n0.079269 0.200613 0.168353 O\n0.222584 0.386390 0.027404 O\n0.237274 0.353415 0.409476 O\n0.257999 0.649012 0.640866 O\n0.299289 0.806712 0.423777 O\n0.336563 0.634181 0.888979 O\n0.326720 0.130339 0.650791 O\n0.326462 0.080641 0.969806 O\n0.392944 0.709220 0.166741 O\n0.384951 0.079858 0.260947 O\n0.458893 0.423119 0.668525 O\n0.541107 0.576881 0.331475 O\n0.615049 0.920142 0.739053 O\n0.607056 0.290780 0.833259 O\n0.673538 0.919359 0.030194 O\n0.673280 0.869661 0.349209 O\n0.663437 0.365819 0.111021 O\n0.700711 0.193288 0.576223 O\n0.742001 0.350988 0.359134 O\n0.762726 0.646585 0.590524 O\n0.777416 0.613610 0.972596 O\n0.920731 0.799387 0.831647 O\n0.930848 0.575314 0.276942 O\n0.982323 0.915267 0.630224 O\n0.956216 0.161205 0.921972 O\n",
            "nsites": 47,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-Li-O-P",
            "density": 3.328839142855233,
            "density_atomic": 0.09129058493774254,
            "volume": 514.8395098142114,
            "volume_molar": 6.596672333852303,
            "formula_full": "Li6 Co5 P8 O28",
            "formula_reduced": "Li6Co5(P2O7)4",
            "formula_anonymous": "A5B6C8D28",
            "energy": -344.27677469,
            "energy_per_atom": -7.325037759361702,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -316.85077469,
            "band_gap": 2.627,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.0034259,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:12.075000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1216245",
            "created_at": "2022-09-04T14:48:22.870621Z",
            "structure_string": "V3 Si3 Ge3\n1.0\n2.346937 -4.065015 0.000000\n2.346937 4.065015 0.000000\n0.000000 0.000000 6.509067\nV Si Ge\n3 3 3\ndirect\n0.168157 0.831843 0.166667 V\n0.168157 0.336314 0.833333 V\n0.663686 0.831843 0.500000 V\n0.501759 0.498241 0.166667 Si\n0.501759 0.003517 0.833333 Si\n0.996483 0.498241 0.500000 Si\n0.830920 0.169080 0.166667 Ge\n0.830920 0.661839 0.833333 Ge\n0.338161 0.169080 0.500000 Ge\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "V",
                "Si",
                "Ge"
            ],
            "chemical_system": "Ge-Si-V",
            "density": 6.083438567762505,
            "density_atomic": 0.07246531553839462,
            "volume": 124.1973478364486,
            "volume_molar": 8.310376785441944,
            "formula_full": "V3 Si3 Ge3",
            "formula_reduced": "VSiGe",
            "formula_anonymous": "ABC",
            "energy": -59.80157142,
            "energy_per_atom": -6.644619046666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.01457142,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.4960616,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:08.659000Z",
            "spacegroup": 153
        },
        {
            "id": "mp-1039182",
            "created_at": "2022-09-04T14:48:22.880134Z",
            "structure_string": "Mg4 Bi2\n1.0\n2.931067 -4.806894 0.000000\n2.931067 4.806894 0.000000\n0.000000 0.000000 5.538330\nMg Bi\n4 2\ndirect\n0.002706 0.335108 0.750000 Mg\n0.335108 0.002706 0.750000 Mg\n0.664892 0.997294 0.250000 Mg\n0.997294 0.664892 0.250000 Mg\n0.679541 0.679541 0.750000 Bi\n0.320459 0.320459 0.250000 Bi\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Mg",
                "Bi"
            ],
            "chemical_system": "Bi-Mg",
            "density": 5.481629143274897,
            "density_atomic": 0.03844608608045282,
            "volume": 156.06270004817435,
            "volume_molar": 15.66385911792941,
            "formula_full": "Mg4 Bi2",
            "formula_reduced": "Mg2Bi",
            "formula_anonymous": "AB2",
            "energy": -14.35333073,
            "energy_per_atom": -2.3922217883333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -14.35333073,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0050751,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:06.593000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-531590",
            "created_at": "2022-09-04T14:48:22.891489Z",
            "structure_string": "Sr2 Al44 O68\n1.0\n11.302816 0.000000 0.000000\n0.000000 9.785260 0.000000\n0.000000 3.243311 11.404622\nSr Al O\n2 44 68\ndirect\n0.250000 0.695046 0.480438 Sr\n0.750000 0.304954 0.519562 Sr\n0.000000 0.000000 0.000000 Al\n0.124468 0.343122 0.216250 Al\n0.000341 0.095720 0.216235 Al\n0.250000 0.499839 0.001612 Al\n0.999989 0.449718 0.649970 Al\n0.124711 0.847296 0.207776 Al\n0.375289 0.847296 0.207776 Al\n0.250000 0.596894 0.210704 Al\n0.500000 0.000000 0.000000 Al\n0.999040 0.649788 0.049620 Al\n0.250000 0.851083 0.947329 Al\n0.123323 0.654570 0.789169 Al\n0.250000 0.948081 0.647575 Al\n0.250000 0.048020 0.352788 Al\n0.375532 0.343122 0.216250 Al\n0.623323 0.345430 0.210831 Al\n0.499659 0.095720 0.216235 Al\n0.750000 0.500161 0.998388 Al\n0.250000 0.150759 0.049351 Al\n0.499040 0.350212 0.950380 Al\n0.250000 0.401778 0.788387 Al\n0.126502 0.154834 0.783099 Al\n0.373498 0.154834 0.783099 Al\n0.500011 0.449718 0.649970 Al\n0.499989 0.550282 0.350030 Al\n0.873498 0.845166 0.216901 Al\n0.626502 0.845166 0.216901 Al\n0.750000 0.598222 0.211613 Al\n0.500960 0.649788 0.049620 Al\n0.750000 0.849241 0.950649 Al\n0.500341 0.904280 0.783765 Al\n0.376677 0.654570 0.789169 Al\n0.624468 0.656878 0.783750 Al\n0.750000 0.951980 0.647212 Al\n0.750000 0.051919 0.352425 Al\n0.876677 0.345430 0.210831 Al\n0.750000 0.148917 0.052671 Al\n0.000960 0.350212 0.950380 Al\n0.750000 0.403106 0.789296 Al\n0.875289 0.152704 0.792224 Al\n0.624711 0.152704 0.792224 Al\n0.000011 0.550282 0.350030 Al\n0.999659 0.904280 0.783765 Al\n0.875532 0.656878 0.783750 Al\n0.998380 0.095084 0.717390 O\n0.133309 0.455888 0.900768 O\n0.998184 0.190799 0.900775 O\n0.250000 0.595773 0.712582 O\n0.125527 0.346409 0.712242 O\n0.000000 0.500000 0.500000 O\n0.130070 0.655929 0.295888 O\n0.999153 0.403596 0.288235 O\n0.250000 0.795865 0.109368 O\n0.132268 0.547681 0.099952 O\n0.117468 0.955576 0.900058 O\n0.382532 0.955576 0.900058 O\n0.250000 0.688653 0.900394 O\n0.998608 0.703263 0.889567 O\n0.501620 0.095084 0.717390 O\n0.250000 0.097541 0.706536 O\n0.124490 0.844033 0.712398 O\n0.375510 0.844033 0.712398 O\n0.250000 0.954239 0.499825 O\n0.374692 0.152969 0.290746 O\n0.125308 0.152969 0.290746 O\n0.250000 0.897867 0.289741 O\n0.498608 0.296737 0.110433 O\n0.250000 0.310523 0.099169 O\n0.118534 0.044814 0.098832 O\n0.381466 0.044814 0.098832 O\n0.366691 0.455888 0.900768 O\n0.632268 0.452319 0.900048 O\n0.501816 0.190799 0.900775 O\n0.250000 0.203137 0.888758 O\n0.750000 0.592503 0.717452 O\n0.499153 0.596404 0.711765 O\n0.374473 0.346409 0.712242 O\n0.630070 0.344071 0.704112 O\n0.500000 0.500000 0.500000 O\n0.369930 0.655929 0.295888 O\n0.625527 0.653591 0.287758 O\n0.500847 0.403596 0.288235 O\n0.250000 0.407497 0.282548 O\n0.750000 0.796863 0.111242 O\n0.498184 0.809201 0.099225 O\n0.367732 0.547681 0.099952 O\n0.633309 0.544112 0.099232 O\n0.618534 0.955186 0.901168 O\n0.881466 0.955186 0.901168 O\n0.750000 0.689477 0.900831 O\n0.501392 0.703263 0.889567 O\n0.750000 0.102133 0.710259 O\n0.874692 0.847031 0.709254 O\n0.625308 0.847031 0.709254 O\n0.750000 0.045761 0.500175 O\n0.624490 0.155967 0.287602 O\n0.875510 0.155967 0.287602 O\n0.750000 0.902459 0.293464 O\n0.498380 0.904916 0.282610 O\n0.001392 0.296737 0.110433 O\n0.750000 0.311347 0.099606 O\n0.882532 0.044424 0.099942 O\n0.617468 0.044424 0.099942 O\n0.867732 0.452319 0.900048 O\n0.750000 0.204135 0.890632 O\n0.000847 0.596404 0.711765 O\n0.869930 0.344071 0.704112 O\n0.874473 0.653591 0.287758 O\n0.750000 0.404227 0.287418 O\n0.001816 0.809201 0.099225 O\n0.866691 0.544112 0.099232 O\n0.001620 0.904916 0.282610 O\n",
            "nsites": 114,
            "nelements": 3,
            "elements": [
                "Sr",
                "Al",
                "O"
            ],
            "chemical_system": "Al-O-Sr",
            "density": 3.2258475293959585,
            "density_atomic": 0.09037845827268913,
            "volume": 1261.36252132162,
            "volume_molar": 6.663247941041489,
            "formula_full": "Sr2 Al44 O68",
            "formula_reduced": "SrAl22O34",
            "formula_anonymous": "AB22C34",
            "energy": -894.64601516,
            "energy_per_atom": -7.847772062807018,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -847.93001516,
            "band_gap": 4.4761,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.7e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:15.472000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1202595",
            "created_at": "2022-09-04T14:48:22.927101Z",
            "structure_string": "Ca10 V6 Cl2 O24\n1.0\n5.162895 -8.942396 0.000000\n5.162895 8.942396 0.000000\n0.000000 0.000000 6.760188\nCa V Cl O\n10 6 2 24\ndirect\n0.666667 0.333333 0.503834 Ca\n0.333333 0.666667 0.003834 Ca\n0.333333 0.666667 0.496166 Ca\n0.666667 0.333333 0.996166 Ca\n0.032398 0.267099 0.750000 Ca\n0.732901 0.765299 0.750000 Ca\n0.234701 0.967602 0.750000 Ca\n0.967602 0.732901 0.250000 Ca\n0.267099 0.234701 0.250000 Ca\n0.765299 0.032398 0.250000 Ca\n0.381649 0.411766 0.750000 V\n0.588234 0.969883 0.750000 V\n0.030117 0.618351 0.750000 V\n0.618351 0.588234 0.250000 V\n0.411766 0.030117 0.250000 V\n0.969883 0.381649 0.250000 V\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.510631 0.351775 0.750000 O\n0.648225 0.158856 0.750000 O\n0.841144 0.489369 0.750000 O\n0.489369 0.648225 0.250000 O\n0.351775 0.841144 0.250000 O\n0.158856 0.510631 0.250000 O\n0.468131 0.608868 0.750000 O\n0.391132 0.859262 0.750000 O\n0.140738 0.531869 0.750000 O\n0.531869 0.391132 0.250000 O\n0.608868 0.140738 0.250000 O\n0.859262 0.468131 0.250000 O\n0.260880 0.347881 0.548256 O\n0.652119 0.913000 0.548256 O\n0.087000 0.739120 0.548256 O\n0.739120 0.652119 0.048256 O\n0.347881 0.087000 0.048256 O\n0.913000 0.260880 0.048256 O\n0.739120 0.652119 0.451744 O\n0.347881 0.087000 0.451744 O\n0.913000 0.260880 0.451744 O\n0.260880 0.347881 0.951744 O\n0.652119 0.913000 0.951744 O\n0.087000 0.739120 0.951744 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Ca",
                "V",
                "Cl",
                "O"
            ],
            "chemical_system": "Ca-Cl-O-V",
            "density": 3.089336866664409,
            "density_atomic": 0.06728423674277954,
            "volume": 624.2175289965986,
            "volume_molar": 8.950299582087855,
            "formula_full": "Ca10 V6 Cl2 O24",
            "formula_reduced": "Ca5V3ClO12",
            "formula_anonymous": "AB3C5D12",
            "energy": -324.29465533,
            "energy_per_atom": -7.721301317380953,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -296.37865533,
            "band_gap": 3.7998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0080795,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:02.302000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-759184",
            "created_at": "2022-09-04T14:48:22.944245Z",
            "structure_string": "Li12 V4 F20\n1.0\n5.095134 0.000000 0.000000\n0.000000 8.057838 0.000000\n0.000000 0.000000 10.432944\nLi V F\n12 4 20\ndirect\n0.183702 0.109307 0.750000 Li\n0.828297 0.136655 0.993251 Li\n0.828297 0.136655 0.506749 Li\n0.328297 0.363345 0.006749 Li\n0.328297 0.363345 0.493251 Li\n0.683702 0.390693 0.250000 Li\n0.316298 0.609307 0.750000 Li\n0.671703 0.636655 0.993251 Li\n0.671703 0.636655 0.506749 Li\n0.171703 0.863345 0.493251 Li\n0.171703 0.863345 0.006749 Li\n0.816298 0.890693 0.250000 Li\n0.283039 0.125144 0.250000 V\n0.783039 0.374856 0.750000 V\n0.216961 0.625144 0.250000 V\n0.716961 0.874856 0.750000 V\n0.016281 0.030246 0.121909 F\n0.016281 0.030246 0.378091 F\n0.536875 0.203897 0.100399 F\n0.536875 0.203897 0.399601 F\n0.565047 0.129665 0.750000 F\n0.065047 0.370335 0.250000 F\n0.036875 0.296103 0.600399 F\n0.036875 0.296103 0.899601 F\n0.516281 0.469754 0.621909 F\n0.516281 0.469754 0.878091 F\n0.483719 0.530246 0.121909 F\n0.483719 0.530246 0.378091 F\n0.963125 0.703897 0.100399 F\n0.963125 0.703897 0.399601 F\n0.934953 0.629665 0.750000 F\n0.434953 0.870335 0.250000 F\n0.463125 0.796103 0.600399 F\n0.463125 0.796103 0.899601 F\n0.983719 0.969754 0.621909 F\n0.983719 0.969754 0.878091 F\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Li",
                "V",
                "F"
            ],
            "chemical_system": "F-Li-V",
            "density": 2.585894982081874,
            "density_atomic": 0.08404685799654546,
            "volume": 428.3324904481223,
            "volume_molar": 7.165218193222078,
            "formula_full": "Li12 V4 F20",
            "formula_reduced": "Li3VF5",
            "formula_anonymous": "AB3C5",
            "energy": -206.76792543,
            "energy_per_atom": -5.743553484166666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -190.72792543,
            "band_gap": 2.4749,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0020413,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:04.759000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1372548",
            "created_at": "2022-09-04T14:48:22.951264Z",
            "structure_string": "Nb4 H4 O12\n1.0\n6.756104 0.000000 0.000000\n-2.237442 6.387139 0.000000\n-2.191316 -3.210963 5.568119\nNb H O\n4 4 12\ndirect\n0.509364 0.985574 0.031523 Nb\n0.983267 0.491969 0.031612 Nb\n0.475251 0.480304 0.544735 Nb\n0.993784 0.993181 0.470372 Nb\n0.440404 0.820697 0.737898 H\n0.449736 0.191044 0.370763 H\n0.739587 0.554955 0.817865 H\n0.881026 0.284612 0.601839 H\n0.700234 0.212904 0.095456 O\n0.317601 0.800427 0.884150 O\n0.316644 0.198872 0.481483 O\n0.697605 0.797925 0.505543 O\n0.520037 0.303299 0.781580 O\n0.513694 0.721302 0.207838 O\n0.885193 0.686814 0.790354 O\n0.069994 0.284550 0.214231 O\n0.809871 0.527834 0.276054 O\n0.198199 0.478995 0.720154 O\n0.821693 0.112621 0.699828 O\n0.204486 0.923283 0.272019 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Nb",
                "H",
                "O"
            ],
            "chemical_system": "H-Nb-O",
            "density": 3.9230026248914944,
            "density_atomic": 0.08323745507834795,
            "volume": 240.27644743793323,
            "volume_molar": 7.234892938919876,
            "formula_full": "Nb4 H4 O12",
            "formula_reduced": "NbHO3",
            "formula_anonymous": "ABC3",
            "energy": -84.35128827000001,
            "energy_per_atom": -4.217564413500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -78.05528827,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0112295,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:50.807000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1106114",
            "created_at": "2022-09-04T14:48:24.560052Z",
            "structure_string": "Rb6 Nd2 N12\n1.0\n5.828334 -5.927153 0.000000\n5.828334 5.927153 0.000000\n-0.199315 0.000000 8.310288\nRb Nd N\n6 2 12\ndirect\n0.000000 0.664825 0.335175 Rb\n0.664825 0.335175 0.000000 Rb\n0.335175 0.000000 0.664825 Rb\n0.500000 0.843499 0.156501 Rb\n0.843499 0.156501 0.500000 Rb\n0.156501 0.500000 0.843499 Rb\n0.746249 0.746249 0.746249 Nd\n0.253751 0.253751 0.253751 Nd\n0.476287 0.684059 0.816695 N\n0.684059 0.816695 0.476287 N\n0.816695 0.476287 0.684059 N\n0.523713 0.183305 0.315941 N\n0.315941 0.523713 0.183305 N\n0.183305 0.315941 0.523713 N\n0.816781 0.687036 0.018408 N\n0.687036 0.018408 0.816781 N\n0.018408 0.816781 0.687036 N\n0.183219 0.981592 0.312964 N\n0.312964 0.183219 0.981592 N\n0.981592 0.312964 0.183219 N\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Rb",
                "Nd",
                "N"
            ],
            "chemical_system": "N-Nd-Rb",
            "density": 2.8035129724318057,
            "density_atomic": 0.03483319856893786,
            "volume": 574.1649007747106,
            "volume_molar": 17.2885092595837,
            "formula_full": "Rb6 Nd2 N12",
            "formula_reduced": "Rb3NdN6",
            "formula_anonymous": "AB3C6",
            "energy": -89.87737949,
            "energy_per_atom": -4.4938689745,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -85.54537949,
            "band_gap": 0.1594,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 24.0004562,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:22.697000Z",
            "spacegroup": 155
        },
        {
            "id": "mp-1019746",
            "created_at": "2022-09-04T14:48:22.879135Z",
            "structure_string": "K2 Ca4 Si8 O21\n1.0\n6.883231 0.000000 0.000000\n-2.357179 6.796777 0.000000\n-2.993995 -2.436127 10.655130\nK Ca Si O\n2 4 8 21\ndirect\n0.739538 0.707777 0.430403 K\n0.260462 0.292223 0.569597 K\n0.662383 0.785228 0.817009 Ca\n0.337617 0.214772 0.182991 Ca\n0.370989 0.733080 0.042711 Ca\n0.629011 0.266920 0.957289 Ca\n0.097613 0.238974 0.886692 Si\n0.902387 0.761026 0.113308 Si\n0.175541 0.901460 0.745090 Si\n0.824459 0.098540 0.254910 Si\n0.662907 0.199622 0.470788 Si\n0.337093 0.800378 0.529212 Si\n0.871717 0.470412 0.742722 Si\n0.128283 0.529588 0.257278 Si\n0.500000 0.000000 0.500000 O\n0.845782 0.344107 0.604953 O\n0.154218 0.655893 0.395047 O\n0.389226 0.911677 0.851121 O\n0.610774 0.088323 0.148879 O\n0.873963 0.123947 0.912229 O\n0.126037 0.876053 0.087771 O\n0.674477 0.693247 0.002577 O\n0.325523 0.306753 0.997423 O\n0.116537 0.104828 0.762132 O\n0.883463 0.895172 0.237868 O\n0.086889 0.454802 0.845023 O\n0.913111 0.545198 0.154977 O\n0.951634 0.715054 0.740062 O\n0.048366 0.284946 0.259938 O\n0.467653 0.686597 0.608925 O\n0.532347 0.313403 0.391075 O\n0.342438 0.585120 0.217286 O\n0.657562 0.414880 0.782714 O\n0.187328 0.880530 0.600267 O\n0.812672 0.119470 0.399733 O\n",
            "nsites": 35,
            "nelements": 4,
            "elements": [
                "K",
                "Ca",
                "Si",
                "O"
            ],
            "chemical_system": "Ca-K-O-Si",
            "density": 2.66219329812714,
            "density_atomic": 0.0702124173780215,
            "volume": 498.48732328301804,
            "volume_molar": 8.577030936817028,
            "formula_full": "K2 Ca4 Si8 O21",
            "formula_reduced": "K2Ca4Si8O21",
            "formula_anonymous": "A2B4C8D21",
            "energy": -272.66426094,
            "energy_per_atom": -7.790407455428572,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -258.23726094,
            "band_gap": 4.3804,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.13e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:39:05.992000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1225862",
            "created_at": "2022-09-04T14:48:22.887072Z",
            "structure_string": "Er4 Cu1 Ge8\n1.0\n0.000000 0.000000 3.947167\n4.044415 0.000000 0.000000\n0.000000 16.356467 0.000000\nEr Cu Ge\n4 1 8\ndirect\n0.250000 0.000000 0.099572 Er\n0.250000 0.500000 0.608669 Er\n0.750000 0.500000 0.399002 Er\n0.750000 0.000000 0.893284 Er\n0.250000 0.000000 0.323701 Cu\n0.250000 0.500000 0.237934 Ge\n0.250000 0.000000 0.749210 Ge\n0.750000 0.000000 0.237049 Ge\n0.750000 0.500000 0.752485 Ge\n0.250000 0.000000 0.465743 Ge\n0.250000 0.500000 0.945873 Ge\n0.750000 0.500000 0.047076 Ge\n0.750000 0.000000 0.562402 Ge\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Er",
                "Cu",
                "Ge"
            ],
            "chemical_system": "Cu-Er-Ge",
            "density": 8.354399578161363,
            "density_atomic": 0.0497866192751983,
            "volume": 261.1143353225448,
            "volume_molar": 12.095902167432342,
            "formula_full": "Er4 Cu1 Ge8",
            "formula_reduced": "Er4CuGe8",
            "formula_anonymous": "AB4C8",
            "energy": -66.76288517,
            "energy_per_atom": -5.135606551538462,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.76288517,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004345,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:16.255000Z",
            "spacegroup": 25
        },
        {
            "id": "mp-1209765",
            "created_at": "2022-09-04T14:48:22.888459Z",
            "structure_string": "Rh4 N24 O24\n1.0\n11.359601 0.000000 0.000000\n0.000000 6.668959 0.000000\n0.000000 5.239137 11.556449\nRh N O\n4 24 24\ndirect\n0.835737 0.773818 0.762438 Rh\n0.164263 0.226182 0.237562 Rh\n0.335737 0.226182 0.737562 Rh\n0.664263 0.773818 0.262438 Rh\n0.452279 0.574997 0.604216 N\n0.547721 0.425003 0.395784 N\n0.952279 0.425003 0.895784 N\n0.047721 0.574997 0.104216 N\n0.212059 0.395620 0.684511 N\n0.787941 0.604380 0.315489 N\n0.712059 0.604380 0.815489 N\n0.287941 0.395620 0.184511 N\n0.884330 0.864875 0.868677 N\n0.115670 0.135125 0.131323 N\n0.384330 0.135125 0.631323 N\n0.615670 0.864875 0.368677 N\n0.047293 0.872715 0.686297 N\n0.952707 0.127285 0.313703 N\n0.547293 0.127285 0.813703 N\n0.452707 0.872715 0.186297 N\n0.357948 0.443710 0.864942 N\n0.642052 0.556290 0.135058 N\n0.857948 0.556290 0.635058 N\n0.142052 0.443710 0.364942 N\n0.310218 0.003636 0.869343 N\n0.689782 0.996364 0.130657 N\n0.810218 0.996364 0.630657 N\n0.189782 0.003636 0.369343 N\n0.096898 0.970540 0.735828 O\n0.903102 0.029460 0.264172 O\n0.596898 0.029460 0.764172 O\n0.403102 0.970540 0.235828 O\n0.080357 0.817845 0.611491 O\n0.919643 0.182155 0.388509 O\n0.580357 0.182155 0.888509 O\n0.419643 0.817845 0.111491 O\n0.835776 0.663847 0.533956 O\n0.164224 0.336153 0.466044 O\n0.335776 0.336153 0.966044 O\n0.664224 0.663847 0.033956 O\n0.054083 0.414823 0.869395 O\n0.945917 0.585177 0.130605 O\n0.554083 0.585177 0.630605 O\n0.445917 0.414823 0.369395 O\n0.386347 0.635322 0.813075 O\n0.613653 0.364678 0.186925 O\n0.886347 0.364678 0.686925 O\n0.113653 0.635322 0.313075 O\n0.393827 0.697543 0.523328 O\n0.606173 0.302457 0.476672 O\n0.893827 0.302457 0.976672 O\n0.106173 0.697543 0.023328 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Rh",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Rh",
            "density": 2.1466494503989337,
            "density_atomic": 0.05939608387825778,
            "volume": 875.4785939521317,
            "volume_molar": 10.138952548358889,
            "formula_full": "Rh4 N24 O24",
            "formula_reduced": "Rh(NO)6",
            "formula_anonymous": "AB6C6",
            "energy": -327.0756777,
            "energy_per_atom": -6.289916878846155,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -310.5876777,
            "band_gap": 0.3202,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9969839,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:36.848000Z",
            "spacegroup": 14
        }
    ]
}