GET /third-parties/MatprojStructure/?format=api&ordering=-energy&page=10244
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=-energy&page=10245",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10243",
    "results": [
        {
            "id": "mp-626654",
            "created_at": "2022-09-04T14:42:25.615820Z",
            "structure_string": "Al8 H24 O24\n1.0\n5.124014 0.000000 0.000000\n-0.080692 8.755947 0.000000\n-0.209240 -0.891988 9.306631\nAl H O\n8 24 24\ndirect\n0.055915 0.189573 0.478150 Al\n0.442933 0.692564 0.514830 Al\n0.472275 0.824365 0.006641 Al\n0.035928 0.324019 0.999282 Al\n0.996588 0.857146 0.511820 Al\n0.510177 0.356730 0.481874 Al\n0.514870 0.155462 0.999590 Al\n0.980795 0.658153 0.002043 Al\n0.190266 0.491085 0.350411 H\n0.334825 0.008723 0.612901 H\n0.700319 0.468145 0.128375 H\n0.830516 0.962519 0.901323 H\n0.834921 0.557298 0.608397 H\n0.678723 0.026670 0.379666 H\n0.303221 0.521063 0.868409 H\n0.367853 0.039492 0.217201 H\n0.866098 0.894591 0.179852 H\n0.632542 0.397441 0.880444 H\n0.663094 0.878881 0.708733 H\n0.811477 0.294538 0.286828 H\n0.167543 0.117567 0.793057 H\n0.357504 0.599644 0.159184 H\n0.841811 0.589643 0.363843 H\n0.764456 0.732346 0.275525 H\n0.666950 0.100913 0.612163 H\n0.726608 0.247483 0.727221 H\n0.336143 0.289042 0.209899 H\n0.162538 0.770387 0.787080 H\n0.188013 0.375727 0.699248 H\n0.269763 0.783575 0.290582 H\n0.650119 0.635702 0.797333 H\n0.942262 0.106293 0.142261 H\n0.369237 0.517682 0.381506 O\n0.150558 0.036751 0.609823 O\n0.883286 0.493222 0.112749 O\n0.640178 0.972141 0.892648 O\n0.644365 0.538763 0.604367 O\n0.867998 0.011907 0.386337 O\n0.126225 0.487780 0.887613 O\n0.375310 0.007447 0.113071 O\n0.342938 0.199384 0.370409 O\n0.154133 0.719756 0.620171 O\n0.787395 0.803211 0.126669 O\n0.709919 0.295976 0.882462 O\n0.662374 0.864101 0.602957 O\n0.835352 0.335038 0.388608 O\n0.209890 0.171245 0.888181 O\n0.287852 0.691863 0.121962 O\n0.786329 0.697136 0.377268 O\n0.720426 0.209455 0.616571 O\n0.352722 0.321628 0.109519 O\n0.157575 0.800664 0.897332 O\n0.218151 0.345207 0.597851 O\n0.290307 0.826691 0.391791 O\n0.649876 0.652686 0.902909 O\n0.839964 0.189636 0.108380 O\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Al",
                "H",
                "O"
            ],
            "chemical_system": "Al-H-O",
            "density": 2.48169024693976,
            "density_atomic": 0.13411646576427563,
            "volume": 417.54753736521906,
            "volume_molar": 4.4902322214369805,
            "formula_full": "Al8 H24 O24",
            "formula_reduced": "Al(HO)3",
            "formula_anonymous": "AB3C3",
            "energy": -341.73843416,
            "energy_per_atom": -6.102472038571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -325.25043416,
            "band_gap": 4.2797,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004326,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:46.743000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-558805",
            "created_at": "2022-09-04T14:44:04.033173Z",
            "structure_string": "Na12 Nd4 B8 O24\n1.0\n8.881597 0.000000 0.000000\n0.000000 6.671646 0.000000\n0.000000 6.499480 10.311998\nNa Nd B O\n12 4 8 24\ndirect\n0.812194 0.418651 0.602687 Na\n0.312194 0.581349 0.897313 Na\n0.563152 0.388537 0.393170 Na\n0.736426 0.819174 0.657574 Na\n0.436848 0.611463 0.606830 Na\n0.687806 0.418651 0.102687 Na\n0.263574 0.180826 0.342426 Na\n0.187806 0.581349 0.397313 Na\n0.236426 0.180826 0.842426 Na\n0.063152 0.611463 0.106830 Na\n0.936848 0.388537 0.893170 Na\n0.763574 0.819174 0.157574 Na\n0.114403 0.013204 0.645892 Nd\n0.385597 0.013204 0.145892 Nd\n0.885597 0.986796 0.354108 Nd\n0.614403 0.986796 0.854108 Nd\n0.568401 0.870319 0.374419 B\n0.098823 0.582497 0.638659 B\n0.068401 0.129681 0.125581 B\n0.931599 0.870319 0.874419 B\n0.401177 0.582497 0.138659 B\n0.598823 0.417503 0.861341 B\n0.431599 0.129681 0.625581 B\n0.901177 0.417503 0.361341 B\n0.211740 0.622093 0.704671 O\n0.101121 0.385513 0.630344 O\n0.653075 0.821866 0.481337 O\n0.919502 0.199204 0.117025 O\n0.601121 0.614487 0.869656 O\n0.398879 0.385513 0.130344 O\n0.580498 0.199204 0.617025 O\n0.136526 0.009188 0.248446 O\n0.363474 0.009188 0.748446 O\n0.518314 0.750183 0.084673 O\n0.636526 0.990812 0.251554 O\n0.419502 0.800796 0.382975 O\n0.898879 0.614487 0.369656 O\n0.846925 0.821866 0.981337 O\n0.863474 0.990812 0.751554 O\n0.788260 0.377907 0.295329 O\n0.153075 0.178134 0.018663 O\n0.080498 0.800796 0.882975 O\n0.018314 0.249817 0.415327 O\n0.481686 0.249817 0.915327 O\n0.711740 0.377907 0.795329 O\n0.981686 0.750183 0.584673 O\n0.288260 0.622093 0.204671 O\n0.346925 0.178134 0.518663 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Na",
                "Nd",
                "B",
                "O"
            ],
            "chemical_system": "B-Na-Nd-O",
            "density": 3.596223812230168,
            "density_atomic": 0.07855509525041354,
            "volume": 611.0361122596603,
            "volume_molar": 7.666136411397575,
            "formula_full": "Na12 Nd4 B8 O24",
            "formula_reduced": "Na3Nd(BO3)2",
            "formula_anonymous": "AB2C3D6",
            "energy": -341.73932303,
            "energy_per_atom": -7.119569229791666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -325.25132303,
            "band_gap": 4.1712,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014716,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:22.672000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-778977",
            "created_at": "2022-09-04T14:39:43.557076Z",
            "structure_string": "Ca4 As8 H4 F52\n1.0\n9.482749 0.000000 0.000000\n0.000000 9.717930 0.000000\n0.000000 2.552435 10.392066\nCa As H F\n4 8 4 52\ndirect\n0.168262 0.752801 0.500457 Ca\n0.331738 0.752801 0.000457 Ca\n0.668262 0.247199 0.999543 Ca\n0.831738 0.247199 0.499543 Ca\n0.655953 0.990634 0.813579 As\n0.844047 0.990634 0.313579 As\n0.344723 0.489435 0.814161 As\n0.844723 0.510565 0.685839 As\n0.155277 0.489435 0.314161 As\n0.655277 0.510565 0.185839 As\n0.155953 0.009366 0.686421 As\n0.344047 0.009366 0.186421 As\n0.024120 0.688904 0.949059 H\n0.475880 0.688904 0.449059 H\n0.524120 0.311096 0.550941 H\n0.975880 0.311096 0.050941 H\n0.534578 0.888983 0.928032 F\n0.563228 0.953526 0.686077 F\n0.276148 0.896695 0.795837 F\n0.246682 0.961594 0.554193 F\n0.768835 0.847065 0.830864 F\n0.052168 0.854795 0.689626 F\n0.965422 0.888983 0.428032 F\n0.936772 0.953526 0.186077 F\n0.223852 0.896695 0.295837 F\n0.253318 0.961594 0.054193 F\n0.731165 0.847065 0.330864 F\n0.447832 0.854795 0.189626 F\n0.426728 0.745440 0.495174 F\n0.449172 0.641381 0.812094 F\n0.733951 0.655017 0.670509 F\n0.224205 0.600991 0.705039 F\n0.252117 0.538292 0.945653 F\n0.965668 0.613744 0.572908 F\n0.937837 0.547887 0.815566 F\n0.073272 0.745440 0.995174 F\n0.050828 0.641381 0.312094 F\n0.766049 0.655017 0.170509 F\n0.275795 0.600991 0.205039 F\n0.247883 0.538292 0.445653 F\n0.437837 0.452113 0.684434 F\n0.465668 0.386256 0.927092 F\n0.534332 0.613744 0.072908 F\n0.562163 0.547887 0.315566 F\n0.752117 0.461708 0.554347 F\n0.724205 0.399009 0.794961 F\n0.233951 0.344983 0.829491 F\n0.949172 0.358619 0.687906 F\n0.926728 0.254560 0.004826 F\n0.062163 0.452113 0.184434 F\n0.034332 0.386256 0.427092 F\n0.747883 0.461708 0.054347 F\n0.775795 0.399009 0.294961 F\n0.266049 0.344983 0.329491 F\n0.550828 0.358619 0.187906 F\n0.573272 0.254560 0.504826 F\n0.552168 0.145205 0.810374 F\n0.268835 0.152935 0.669136 F\n0.746682 0.038406 0.945807 F\n0.776148 0.103305 0.704163 F\n0.063228 0.046474 0.813923 F\n0.034578 0.111017 0.571968 F\n0.947832 0.145205 0.310374 F\n0.231165 0.152935 0.169136 F\n0.753318 0.038406 0.445807 F\n0.723852 0.103305 0.204163 F\n0.436772 0.046474 0.313923 F\n0.465422 0.111017 0.071968 F\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Ca",
                "As",
                "H",
                "F"
            ],
            "chemical_system": "As-Ca-F-H",
            "density": 3.0372632018948944,
            "density_atomic": 0.07100664525533817,
            "volume": 957.6568468412167,
            "volume_molar": 8.481094605081719,
            "formula_full": "Ca4 As8 H4 F52",
            "formula_reduced": "CaAs2HF13",
            "formula_anonymous": "ABC2D13",
            "energy": -341.78115153,
            "energy_per_atom": -5.026193404852941,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -317.75715153,
            "band_gap": 4.6191,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.6e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:40.689000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1099887",
            "created_at": "2022-09-04T14:46:00.485551Z",
            "structure_string": "La7 Sm1 Mn5 Fe3 O24\n1.0\n5.536541 5.535434 0.000000\n-5.536541 5.535434 0.000000\n0.000000 0.004187 7.842366\nLa Sm Mn Fe O\n7 1 5 3 24\ndirect\n0.751706 0.248376 0.245495 La\n0.248840 0.248840 0.245815 La\n0.751541 0.248251 0.754548 La\n0.248212 0.248212 0.754813 La\n0.248376 0.751706 0.245495 La\n0.751184 0.751184 0.754244 La\n0.248251 0.751541 0.754548 La\n0.752057 0.752057 0.244583 Sm\n0.999597 0.999597 0.499543 Mn\n0.500422 0.999566 0.499602 Mn\n0.500442 0.500442 0.000491 Mn\n0.999566 0.500422 0.499602 Mn\n0.500414 0.500414 0.499617 Mn\n0.999720 0.999720 0.000280 Fe\n0.500353 0.999718 0.000303 Fe\n0.999718 0.500353 0.000303 Fe\n0.999897 0.244940 0.999846 O\n0.500171 0.257614 0.000180 O\n0.999845 0.249878 0.499794 O\n0.500197 0.250169 0.499774 O\n0.998047 0.755138 0.002198 O\n0.501753 0.742582 0.001796 O\n0.998359 0.750108 0.498378 O\n0.501517 0.749833 0.498504 O\n0.998211 0.998211 0.250385 O\n0.501627 0.998213 0.257812 O\n0.999705 0.999705 0.749422 O\n0.500166 0.999853 0.742134 O\n0.998213 0.501627 0.257812 O\n0.501584 0.501584 0.248549 O\n0.999853 0.500166 0.742134 O\n0.500194 0.500194 0.751531 O\n0.755138 0.998047 0.002198 O\n0.244940 0.999897 0.999846 O\n0.750108 0.998359 0.498378 O\n0.249878 0.999845 0.499794 O\n0.742582 0.501753 0.001796 O\n0.257614 0.500171 0.000180 O\n0.749833 0.501517 0.498504 O\n0.250169 0.500197 0.499774 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "La",
                "Sm",
                "Mn",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-La-Mn-O-Sm",
            "density": 6.732453841040163,
            "density_atomic": 0.08321328971763281,
            "volume": 480.6924487150042,
            "volume_molar": 7.236993971077092,
            "formula_full": "La7 Sm1 Mn5 Fe3 O24",
            "formula_reduced": "La7SmMn5(FeO8)3",
            "formula_anonymous": "AB3C5D7E24",
            "energy": -341.79718295,
            "energy_per_atom": -8.54492957375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -310.20118295,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 33.3371189,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:16.686000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-759772",
            "created_at": "2022-09-04T14:42:50.579689Z",
            "structure_string": "Sr8 V4 C4 O12 F20\n1.0\n8.961467 0.000000 0.000000\n0.000000 5.619305 0.000000\n0.000000 3.608122 13.458191\nSr V C O F\n8 4 4 12 20\ndirect\n0.892956 0.693194 0.094967 Sr\n0.356869 0.692077 0.086615 Sr\n0.856869 0.307923 0.413385 Sr\n0.392956 0.306806 0.405033 Sr\n0.607044 0.693194 0.594967 Sr\n0.143131 0.692077 0.586615 Sr\n0.643131 0.307923 0.913385 Sr\n0.107044 0.306806 0.905033 Sr\n0.871886 0.197507 0.670141 V\n0.371886 0.802493 0.829859 V\n0.628114 0.197507 0.170141 V\n0.128114 0.802493 0.329859 V\n0.375842 0.182198 0.636313 C\n0.875842 0.817802 0.863687 C\n0.124158 0.182198 0.136313 C\n0.624158 0.817802 0.363687 C\n0.379841 0.412145 0.583338 O\n0.370571 0.138546 0.731605 O\n0.877265 0.992143 0.909766 O\n0.120159 0.412145 0.083338 O\n0.377265 0.007857 0.590234 O\n0.870571 0.861454 0.768395 O\n0.129429 0.138546 0.231605 O\n0.622735 0.992143 0.409766 O\n0.879841 0.587855 0.916662 O\n0.122735 0.007857 0.090234 O\n0.629429 0.861454 0.268395 O\n0.620159 0.587855 0.416662 O\n0.962068 0.670118 0.271440 F\n0.283160 0.665402 0.263480 F\n0.128819 0.469563 0.434910 F\n0.628820 0.530437 0.065090 F\n0.512586 0.921796 0.914195 F\n0.717619 0.103293 0.585671 F\n0.783160 0.334598 0.236520 F\n0.462068 0.329882 0.228560 F\n0.217619 0.896707 0.914329 F\n0.012586 0.078204 0.585805 F\n0.987414 0.921796 0.414195 F\n0.782381 0.103293 0.085671 F\n0.537932 0.670118 0.771440 F\n0.216840 0.665402 0.763480 F\n0.282381 0.896707 0.414329 F\n0.487414 0.078204 0.085805 F\n0.371181 0.469563 0.934910 F\n0.871181 0.530437 0.565090 F\n0.716840 0.334598 0.736520 F\n0.037932 0.329882 0.728560 F\n",
            "nsites": 48,
            "nelements": 5,
            "elements": [
                "Sr",
                "V",
                "C",
                "O",
                "F"
            ],
            "chemical_system": "C-F-O-Sr-V",
            "density": 3.735885392529294,
            "density_atomic": 0.0708260195448704,
            "volume": 677.7170354687314,
            "volume_molar": 8.50272371467211,
            "formula_full": "Sr8 V4 C4 O12 F20",
            "formula_reduced": "Sr2VCO3F5",
            "formula_anonymous": "ABC2D3E5",
            "energy": -341.8018078,
            "energy_per_atom": -7.120870995833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -317.5178078,
            "band_gap": 3.765,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.0000001,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:51.946000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-653954",
            "created_at": "2022-09-04T14:39:44.266141Z",
            "structure_string": "Cs12 Re12 S30\n1.0\n10.334687 -7.114739 0.000000\n10.334687 7.114739 0.000000\n5.436666 0.000000 11.307871\nCs Re S\n12 12 30\ndirect\n0.470759 0.871792 0.681216 Cs\n0.128208 0.318784 0.529241 Cs\n0.871792 0.681216 0.470759 Cs\n0.371792 0.970759 0.181216 Cs\n0.029241 0.818784 0.628208 Cs\n0.970759 0.181216 0.371792 Cs\n0.181216 0.371792 0.970759 Cs\n0.318784 0.529241 0.128208 Cs\n0.628208 0.029241 0.818784 Cs\n0.818784 0.628208 0.029241 Cs\n0.529241 0.128208 0.318784 Cs\n0.681216 0.470759 0.871792 Cs\n0.943369 0.077789 0.865060 Re\n0.365060 0.577789 0.443369 Re\n0.922211 0.134940 0.056631 Re\n0.443369 0.365060 0.577789 Re\n0.077789 0.865060 0.943369 Re\n0.865060 0.943369 0.077789 Re\n0.634940 0.422211 0.556631 Re\n0.422211 0.556631 0.634940 Re\n0.577789 0.443369 0.365060 Re\n0.556631 0.634940 0.422211 Re\n0.056631 0.922211 0.134940 Re\n0.134940 0.056631 0.922211 Re\n0.604371 0.604371 0.604371 S\n0.252831 0.499819 0.643769 S\n0.185376 0.656881 0.370063 S\n0.747169 0.500181 0.356231 S\n0.656881 0.370063 0.185376 S\n0.999819 0.752831 0.143769 S\n0.247169 0.856231 0.000181 S\n0.499819 0.643769 0.252831 S\n0.370063 0.185376 0.656881 S\n0.156881 0.685376 0.870063 S\n0.685376 0.870063 0.156881 S\n0.500181 0.356231 0.747169 S\n0.870063 0.156881 0.685376 S\n0.814624 0.343119 0.629937 S\n0.143769 0.999819 0.752831 S\n0.000181 0.247169 0.856231 S\n0.356231 0.747169 0.500181 S\n0.314624 0.129937 0.843119 S\n0.129937 0.843119 0.314624 S\n0.895629 0.895629 0.895629 S\n0.643769 0.252831 0.499819 S\n0.104371 0.104371 0.104371 S\n0.343119 0.629937 0.814624 S\n0.856231 0.000181 0.247169 S\n0.629937 0.814624 0.343119 S\n0.843119 0.314624 0.129937 S\n0.395629 0.395629 0.395629 S\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.752831 0.143769 0.999819 S\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Cs",
                "Re",
                "S"
            ],
            "chemical_system": "Cs-Re-S",
            "density": 4.784485774157246,
            "density_atomic": 0.0324733144442646,
            "volume": 1662.903861959721,
            "volume_molar": 18.544890976053797,
            "formula_full": "Cs12 Re12 S30",
            "formula_reduced": "Cs2Re2S5",
            "formula_anonymous": "A2B2C5",
            "energy": -341.83026409,
            "energy_per_atom": -6.330190075740741,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -326.74026409,
            "band_gap": 0.6521000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1603965,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:32.834000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1179451",
            "created_at": "2022-09-04T14:43:57.950913Z",
            "structure_string": "V4 P4 H12 Pb2 O28\n1.0\n4.347009 4.480021 -0.852509\n-4.347009 4.480021 0.852509\n0.152282 0.000000 14.428935\nV P H Pb O\n4 4 12 2 28\ndirect\n0.736519 0.045953 0.471283 V\n0.954047 0.263481 0.971283 V\n0.254990 0.500216 0.569224 V\n0.499784 0.745010 0.069224 V\n0.251082 0.021540 0.521203 P\n0.978460 0.748918 0.021203 P\n0.747563 0.521446 0.525916 P\n0.478554 0.252437 0.025916 P\n0.823786 0.036043 0.302418 H\n0.963957 0.176214 0.802418 H\n0.147678 0.420742 0.764148 H\n0.579258 0.852322 0.264148 H\n0.347212 0.569013 0.762734 H\n0.430987 0.652788 0.262734 H\n0.116214 0.928721 0.703127 H\n0.071279 0.883786 0.203127 H\n0.778571 0.578738 0.786120 H\n0.421262 0.221429 0.286120 H\n0.893763 0.796567 0.778314 H\n0.203433 0.106237 0.278314 H\n0.488642 0.041364 0.789902 Pb\n0.958636 0.511358 0.289902 Pb\n0.787156 0.028256 0.586305 O\n0.971744 0.212844 0.086305 O\n0.431731 0.041420 0.459022 O\n0.958580 0.568269 0.959022 O\n0.041606 0.059312 0.453678 O\n0.940688 0.958394 0.953678 O\n0.727355 0.361612 0.452061 O\n0.638388 0.272645 0.952061 O\n0.743012 0.739517 0.465016 O\n0.260483 0.256988 0.965016 O\n0.211619 0.522470 0.455029 O\n0.477530 0.788381 0.955029 O\n0.260533 0.799842 0.583965 O\n0.200158 0.739467 0.083965 O\n0.963136 0.485696 0.592966 O\n0.514304 0.036864 0.092966 O\n0.565390 0.495869 0.588969 O\n0.504131 0.434610 0.088969 O\n0.278585 0.186578 0.594492 O\n0.813422 0.721415 0.094492 O\n0.690509 0.068726 0.326793 O\n0.931274 0.309491 0.826793 O\n0.285948 0.444883 0.735913 O\n0.555117 0.714052 0.235913 O\n0.157142 0.906801 0.771473 O\n0.093199 0.842858 0.271473 O\n0.748470 0.734507 0.769299 O\n0.265493 0.251530 0.269299 O\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "V",
                "P",
                "H",
                "Pb",
                "O"
            ],
            "chemical_system": "H-O-P-Pb-V",
            "density": 3.5446319787082077,
            "density_atomic": 0.08878450557677262,
            "volume": 563.1613272516862,
            "volume_molar": 6.782873566596157,
            "formula_full": "V4 P4 H12 Pb2 O28",
            "formula_reduced": "V2P2H6PbO14",
            "formula_anonymous": "AB2C2D6E14",
            "energy": -341.84128207,
            "energy_per_atom": -6.8368256414,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -315.80528207,
            "band_gap": 1.2767,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002851,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:08.527000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1199438",
            "created_at": "2022-09-04T14:45:24.687375Z",
            "structure_string": "Na4 Fe4 P8 O24 F8\n1.0\n14.407971 0.000000 0.000000\n0.000000 6.552926 0.000000\n0.000000 0.692472 6.530141\nNa Fe P O F\n4 4 8 24 8\ndirect\n0.423469 0.689927 0.495606 Na\n0.923469 0.310073 0.004394 Na\n0.576531 0.310073 0.504394 Na\n0.076531 0.689927 0.995606 Na\n0.608914 0.729258 0.135131 Fe\n0.108914 0.270742 0.364869 Fe\n0.391086 0.270742 0.864869 Fe\n0.891086 0.729258 0.635131 Fe\n0.655387 0.770825 0.631139 P\n0.155387 0.229175 0.868861 P\n0.344613 0.229175 0.368861 P\n0.844613 0.770825 0.131139 P\n0.393634 0.754990 0.980604 P\n0.893634 0.245010 0.519396 P\n0.606366 0.245010 0.019396 P\n0.106366 0.754990 0.480604 P\n0.467659 0.740448 0.149390 O\n0.967659 0.259552 0.350610 O\n0.532341 0.259552 0.850610 O\n0.032341 0.740448 0.649390 O\n0.382950 0.965357 0.861594 O\n0.882950 0.034643 0.638406 O\n0.617050 0.034643 0.138406 O\n0.117050 0.965357 0.361594 O\n0.601613 0.746593 0.830657 O\n0.101613 0.253407 0.669343 O\n0.398387 0.253407 0.169343 O\n0.898387 0.746593 0.330657 O\n0.398972 0.586179 0.837705 O\n0.898972 0.413821 0.662295 O\n0.601028 0.413821 0.162295 O\n0.101028 0.586179 0.337705 O\n0.754725 0.698134 0.643784 O\n0.254725 0.301866 0.856216 O\n0.245275 0.301866 0.356216 O\n0.745275 0.698134 0.143784 O\n0.598126 0.689793 0.459145 O\n0.098126 0.310207 0.040855 O\n0.401874 0.310207 0.540855 O\n0.901874 0.689793 0.959145 O\n0.339334 0.986469 0.430343 F\n0.839334 0.013531 0.069657 F\n0.660666 0.013531 0.569657 F\n0.160666 0.986469 0.930343 F\n0.300150 0.713037 0.107603 F\n0.800150 0.286963 0.392397 F\n0.699850 0.286963 0.892397 F\n0.199850 0.713037 0.607603 F\n",
            "nsites": 48,
            "nelements": 5,
            "elements": [
                "Na",
                "Fe",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-Na-O-P",
            "density": 2.9602367578155846,
            "density_atomic": 0.0778539387918347,
            "volume": 616.5391339844995,
            "volume_molar": 7.735178018548241,
            "formula_full": "Na4 Fe4 P8 O24 F8",
            "formula_reduced": "NaFeP2(O3F)2",
            "formula_anonymous": "ABC2D2E6",
            "energy": -341.85992042,
            "energy_per_atom": -7.122081675416666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -312.65192042,
            "band_gap": 1.8637,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.0006989,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:07.263000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-600226",
            "created_at": "2022-09-04T14:46:05.164917Z",
            "structure_string": "Mn2 H24 C8 N20\n1.0\n12.689879 0.000000 0.000000\n0.000000 6.145234 0.000000\n0.000000 0.024245 6.251084\nMn H C N\n2 24 8 20\ndirect\n0.752978 0.000813 0.996835 Mn\n0.252978 0.999187 0.003165 Mn\n0.411769 0.326863 0.656481 H\n0.422093 0.788835 0.595481 H\n0.922093 0.211165 0.404519 H\n0.480774 0.476613 0.125118 H\n0.080895 0.325865 0.807548 H\n0.562904 0.826611 0.562953 H\n0.666835 0.518806 0.468123 H\n0.106045 0.722263 0.638471 H\n0.414446 0.248584 0.377471 H\n0.839393 0.518592 0.540589 H\n0.513463 0.648427 0.766999 H\n0.911769 0.673137 0.343519 H\n0.166835 0.481194 0.531877 H\n0.942489 0.258431 0.782068 H\n0.914446 0.751416 0.622529 H\n0.442489 0.741569 0.217932 H\n0.980774 0.523387 0.874882 H\n0.339393 0.481408 0.459411 H\n0.101175 0.669421 0.353404 H\n0.062904 0.173389 0.437047 H\n0.013463 0.351573 0.233001 H\n0.580895 0.674135 0.192452 H\n0.601175 0.330579 0.646596 H\n0.606045 0.277737 0.361529 H\n0.001808 0.387281 0.770628 C\n0.101943 0.597437 0.513892 C\n0.410187 0.384360 0.490418 C\n0.601943 0.402563 0.486108 C\n0.501808 0.612719 0.229372 C\n0.999903 0.286872 0.393659 C\n0.499903 0.713128 0.606341 C\n0.910187 0.615640 0.509582 C\n0.229512 0.322253 0.052275 N\n0.909998 0.921133 0.018573 N\n0.003557 0.935017 0.025984 N\n0.271204 0.941919 0.323782 N\n0.253425 0.503111 0.000790 N\n0.752429 0.003120 0.497738 N\n0.776915 0.316862 0.053482 N\n0.734255 0.947990 0.318247 N\n0.097236 0.930353 0.040935 N\n0.753425 0.496889 0.999210 N\n0.503557 0.064983 0.974016 N\n0.409998 0.078867 0.981427 N\n0.502969 0.527965 0.453414 N\n0.597236 0.069647 0.959065 N\n0.729512 0.677747 0.947725 N\n0.276915 0.683138 0.946518 N\n0.771204 0.058081 0.676218 N\n0.234255 0.052010 0.681753 N\n0.252429 0.996880 0.502262 N\n0.002969 0.472035 0.546586 N\n",
            "nsites": 54,
            "nelements": 4,
            "elements": [
                "Mn",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "C-H-Mn-N",
            "density": 1.7382479384151868,
            "density_atomic": 0.11077519397883305,
            "volume": 487.4737570788486,
            "volume_molar": 5.436362188768284,
            "formula_full": "Mn2 H24 C8 N20",
            "formula_reduced": "MnH12(C2N5)2",
            "formula_anonymous": "AB4C10D12",
            "energy": -341.87630490000004,
            "energy_per_atom": -6.331042683333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -334.6563049,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0180398,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:21.142000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-31073",
            "created_at": "2022-09-04T14:41:06.684950Z",
            "structure_string": "Na6 B14 O24\n1.0\n6.718597 0.000000 0.000000\n-1.371595 8.260878 0.000000\n-1.668517 -1.073518 8.718618\nNa B O\n6 14 24\ndirect\n0.765357 0.228467 0.978439 Na\n0.234643 0.771533 0.021561 Na\n0.446139 0.918644 0.710216 Na\n0.553861 0.081356 0.289784 Na\n0.931250 0.271127 0.663820 Na\n0.068750 0.728873 0.336180 Na\n0.774638 0.871092 0.049721 B\n0.225362 0.128908 0.950279 B\n0.786726 0.844442 0.526570 B\n0.213274 0.155558 0.473430 B\n0.400794 0.271684 0.754105 B\n0.599206 0.728316 0.245895 B\n0.339591 0.550162 0.708165 B\n0.660409 0.449838 0.291835 B\n0.901395 0.951286 0.807390 B\n0.098605 0.048714 0.192610 B\n0.686168 0.496998 0.727313 B\n0.313832 0.503002 0.272687 B\n0.009754 0.694867 0.694965 B\n0.990246 0.305133 0.305035 B\n0.279014 0.402336 0.755476 O\n0.740511 0.920671 0.905332 O\n0.086804 0.268786 0.456452 O\n0.913196 0.731214 0.543548 O\n0.259489 0.079329 0.094668 O\n0.781120 0.957556 0.648639 O\n0.777229 0.331758 0.313467 O\n0.222771 0.668242 0.686533 O\n0.971911 0.881474 0.137694 O\n0.028089 0.118526 0.862306 O\n0.965195 0.167278 0.188274 O\n0.034805 0.832722 0.811726 O\n0.108453 0.457082 0.266649 O\n0.891547 0.542918 0.733351 O\n0.669092 0.852499 0.384215 O\n0.330908 0.147501 0.615785 O\n0.398309 0.187338 0.893729 O\n0.601691 0.812662 0.106271 O\n0.623642 0.341132 0.762565 O\n0.376358 0.658868 0.237435 O\n0.542513 0.595610 0.686583 O\n0.457487 0.404390 0.313417 O\n0.218880 0.042444 0.351361 O\n0.720986 0.597664 0.244524 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Na",
                "B",
                "O"
            ],
            "chemical_system": "B-Na-O",
            "density": 2.3104214635907696,
            "density_atomic": 0.09092854183833625,
            "volume": 483.8964654049827,
            "volume_molar": 6.622937790761991,
            "formula_full": "Na6 B14 O24",
            "formula_reduced": "Na3B7O12",
            "formula_anonymous": "A3B7C12",
            "energy": -341.88133508,
            "energy_per_atom": -7.7700303427272726,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -325.39333508,
            "band_gap": 4.9219,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0031724,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.609000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1212629",
            "created_at": "2022-09-04T14:46:25.938739Z",
            "structure_string": "H22 C4 N22 O6\n1.0\n7.457909 -0.344359 2.009451\n0.961832 8.427471 0.137541\n0.200968 -0.125950 9.311988\nH C N O\n22 4 22 6\ndirect\n0.507673 0.771830 0.002166 H\n0.492327 0.228170 0.997834 H\n0.998071 0.371113 0.141011 H\n0.001929 0.628887 0.858989 H\n0.658041 0.568571 0.263630 H\n0.341959 0.431429 0.736370 H\n0.277278 0.824346 0.300217 H\n0.722722 0.175654 0.699783 H\n0.055679 0.471396 0.370247 H\n0.944321 0.528604 0.629753 H\n0.248844 0.656198 0.520630 H\n0.751156 0.343802 0.479370 H\n0.287344 0.581176 0.994945 H\n0.712656 0.418824 0.005055 H\n0.575411 0.403725 0.288085 H\n0.424589 0.596275 0.711915 H\n0.678730 0.131704 0.016518 H\n0.321270 0.868296 0.983482 H\n0.176084 0.275252 0.175804 H\n0.823916 0.724748 0.824196 H\n0.080997 0.789725 0.539993 H\n0.919003 0.210275 0.460007 H\n0.203041 0.625202 0.223920 C\n0.796959 0.374798 0.776080 C\n0.273351 0.124386 0.596170 C\n0.726649 0.875614 0.403830 C\n0.410499 0.274067 0.428868 N\n0.589501 0.725933 0.571132 N\n0.127228 0.381986 0.146474 N\n0.872772 0.618014 0.853526 N\n0.360191 0.257827 0.576945 N\n0.639809 0.742173 0.423055 N\n0.354328 0.154204 0.363033 N\n0.645672 0.845796 0.636967 N\n0.373678 0.799054 0.053482 N\n0.626322 0.200946 0.946518 N\n0.121939 0.490746 0.260357 N\n0.878061 0.509254 0.739643 N\n0.138707 0.687702 0.482958 N\n0.861293 0.312298 0.517042 N\n0.200392 0.730080 0.331904 N\n0.799608 0.269920 0.668096 N\n0.196912 0.059009 0.741121 N\n0.803088 0.940991 0.258879 N\n0.284226 0.658604 0.081212 N\n0.715774 0.341396 0.918788 N\n0.267009 0.057435 0.467724 N\n0.732991 0.942565 0.532276 N\n0.209030 0.133736 0.851880 O\n0.790970 0.866264 0.148120 O\n0.665318 0.464034 0.215827 O\n0.334682 0.535966 0.784173 O\n0.874915 0.068560 0.253404 O\n0.125085 0.931440 0.746596 O\n",
            "nsites": 54,
            "nelements": 4,
            "elements": [
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O",
            "density": 1.3468842280999251,
            "density_atomic": 0.09233486051804553,
            "volume": 584.827872127954,
            "volume_molar": 6.522066233936704,
            "formula_full": "H22 C4 N22 O6",
            "formula_reduced": "H11C2N11O3",
            "formula_anonymous": "A2B3C11D11",
            "energy": -341.88585317,
            "energy_per_atom": -6.331219503148149,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -329.82185317,
            "band_gap": 2.4059,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0028931,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:37.962000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-770446",
            "created_at": "2022-09-04T14:42:48.469484Z",
            "structure_string": "Mg12 As8 O32\n1.0\n8.909106 0.000000 0.000000\n0.000000 6.623740 0.000000\n0.000000 0.562295 11.160340\nMg As O\n12 8 32\ndirect\n0.204041 0.909541 0.572473 Mg\n0.295959 0.909541 0.072473 Mg\n0.843809 0.758856 0.636564 Mg\n0.656191 0.758856 0.136564 Mg\n0.467239 0.618028 0.616684 Mg\n0.032761 0.618028 0.116684 Mg\n0.967239 0.381972 0.883316 Mg\n0.532761 0.381972 0.383316 Mg\n0.343809 0.241144 0.863436 Mg\n0.156191 0.241144 0.363436 Mg\n0.704041 0.090459 0.927527 Mg\n0.795959 0.090459 0.427527 Mg\n0.054740 0.894940 0.853256 As\n0.445260 0.894940 0.353256 As\n0.615316 0.590006 0.866055 As\n0.884684 0.590006 0.366055 As\n0.115316 0.409994 0.633945 As\n0.384684 0.409994 0.133945 As\n0.554740 0.105060 0.646744 As\n0.945260 0.105060 0.146744 As\n0.234407 0.957303 0.892782 O\n0.265593 0.957303 0.392782 O\n0.422348 0.922580 0.619270 O\n0.077652 0.922580 0.119270 O\n0.041477 0.867518 0.701160 O\n0.458523 0.867518 0.201160 O\n0.634564 0.793321 0.957031 O\n0.865436 0.793321 0.457031 O\n0.997643 0.673046 0.927305 O\n0.657390 0.669269 0.719887 O\n0.502357 0.673046 0.427305 O\n0.842610 0.669269 0.219887 O\n0.238936 0.599400 0.588727 O\n0.261064 0.599400 0.088727 O\n0.432421 0.522653 0.853832 O\n0.067579 0.522653 0.353832 O\n0.932421 0.477347 0.646168 O\n0.567579 0.477347 0.146168 O\n0.738936 0.400600 0.911273 O\n0.761064 0.400600 0.411273 O\n0.157390 0.330731 0.780113 O\n0.497643 0.326954 0.572695 O\n0.342610 0.330731 0.280113 O\n0.002357 0.326954 0.072695 O\n0.134564 0.206679 0.542969 O\n0.365436 0.206679 0.042969 O\n0.541477 0.132482 0.798840 O\n0.958523 0.132482 0.298840 O\n0.922348 0.077420 0.880730 O\n0.577652 0.077420 0.380730 O\n0.734407 0.042697 0.607218 O\n0.765593 0.042697 0.107218 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Mg",
                "As",
                "O"
            ],
            "chemical_system": "As-Mg-O",
            "density": 3.5374975657613423,
            "density_atomic": 0.07895661388455355,
            "volume": 658.5895397696743,
            "volume_molar": 7.627151752993456,
            "formula_full": "Mg12 As8 O32",
            "formula_reduced": "Mg3(AsO4)2",
            "formula_anonymous": "A2B3C8",
            "energy": -341.88617288999995,
            "energy_per_atom": -6.574734094038461,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -319.90217289,
            "band_gap": 3.2396000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0038497,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:51.784000Z",
            "spacegroup": 14
        }
    ]
}