GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=27
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=28",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=26",
    "results": [
        {
            "id": "mp-1223468",
            "created_at": "2022-09-04T14:43:03.523175Z",
            "structure_string": "K3 Ta3 W6 O27\n1.0\n3.909430 0.000000 0.000000\n0.005852 13.036149 0.000000\n0.006326 6.508159 11.312532\nK Ta W O\n3 3 6 27\ndirect\n0.994573 0.828460 0.821829 K\n0.994848 0.176274 0.176424 K\n0.815533 0.498803 0.500238 K\n0.465503 0.664837 0.666831 Ta\n0.465559 0.333721 0.339085 Ta\n0.439041 0.166164 0.665971 Ta\n0.487360 0.000362 0.500858 W\n0.485873 0.499323 0.001283 W\n0.490535 0.001221 0.999659 W\n0.425250 0.834361 0.333780 W\n0.423410 0.332517 0.834356 W\n0.425383 0.668269 0.164955 W\n0.458642 0.834587 0.618608 O\n0.458732 0.164353 0.378343 O\n0.458524 0.381096 0.162649 O\n0.458618 0.622459 0.834839 O\n0.953586 0.156444 0.669229 O\n0.950824 0.835609 0.329562 O\n0.950107 0.328832 0.842186 O\n0.951646 0.671946 0.160745 O\n0.963085 0.999293 0.495936 O\n0.962611 0.502681 0.998354 O\n0.456520 0.036074 0.624120 O\n0.455413 0.956521 0.374855 O\n0.456401 0.377196 0.958160 O\n0.456662 0.625854 0.041526 O\n0.958782 0.660286 0.661272 O\n0.958866 0.338609 0.330999 O\n0.457057 0.709507 0.492424 O\n0.456764 0.297685 0.502721 O\n0.457925 0.508531 0.286889 O\n0.456568 0.491726 0.712165 O\n0.458969 0.284577 0.719585 O\n0.460084 0.715062 0.283818 O\n0.459358 0.040852 0.839921 O\n0.457889 0.956029 0.167161 O\n0.458525 0.165261 0.961072 O\n0.459940 0.835000 0.043227 O\n0.964834 0.999618 0.004367 O\n",
            "nsites": 39,
            "nelements": 4,
            "elements": [
                "K",
                "Ta",
                "W",
                "O"
            ],
            "chemical_system": "K-O-Ta-W",
            "density": 6.32256296552869,
            "density_atomic": 0.06764598567529445,
            "volume": 576.5308851762878,
            "volume_molar": 8.902436264151289,
            "formula_full": "K3 Ta3 W6 O27",
            "formula_reduced": "KTaW2O9",
            "formula_anonymous": "ABC2D9",
            "energy": -350.1058874100001,
            "energy_per_atom": -8.977074036153848,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -304.92888741,
            "band_gap": 1.4278000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.834000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-505534",
            "created_at": "2022-09-04T14:43:03.705570Z",
            "structure_string": "Pu1 B6\n1.0\n4.111788 0.000000 0.000000\n0.000000 4.111788 0.000000\n0.000000 0.000000 4.111788\nPu B\n1 6\ndirect\n0.000000 0.000000 0.000000 Pu\n0.198706 0.500000 0.500000 B\n0.500000 0.500000 0.801294 B\n0.500000 0.500000 0.198706 B\n0.500000 0.198706 0.500000 B\n0.500000 0.801294 0.500000 B\n0.801294 0.500000 0.500000 B\n",
            "nsites": 7,
            "nelements": 2,
            "elements": [
                "Pu",
                "B"
            ],
            "chemical_system": "B-Pu",
            "density": 7.377803040029071,
            "density_atomic": 0.10069453386055949,
            "volume": 69.51717964843564,
            "volume_molar": 5.980603444015525,
            "formula_full": "Pu1 B6",
            "formula_reduced": "PuB6",
            "formula_anonymous": "AB6",
            "energy": -57.05284636999999,
            "energy_per_atom": -8.150406624285713,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -57.05284636999999,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.4649148,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:01.637000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-555681",
            "created_at": "2022-09-04T14:43:03.339190Z",
            "structure_string": "La12 Cu4 S12 O8\n1.0\n3.942552 0.000000 0.000000\n0.000000 12.574160 0.000000\n0.000000 0.000000 14.078891\nLa Cu S O\n12 4 12 8\ndirect\n0.750000 0.904280 0.368169 La\n0.250000 0.387705 0.708116 La\n0.750000 0.612295 0.291884 La\n0.750000 0.900361 0.077502 La\n0.250000 0.099639 0.922498 La\n0.250000 0.400361 0.422498 La\n0.250000 0.095720 0.631831 La\n0.750000 0.599639 0.577502 La\n0.750000 0.595720 0.868169 La\n0.250000 0.112295 0.208116 La\n0.750000 0.887705 0.791884 La\n0.250000 0.404280 0.131831 La\n0.750000 0.171704 0.414485 Cu\n0.250000 0.671704 0.085515 Cu\n0.250000 0.828296 0.585515 Cu\n0.750000 0.328296 0.914485 Cu\n0.250000 0.788115 0.218372 S\n0.750000 0.567724 0.087012 S\n0.250000 0.711885 0.718372 S\n0.250000 0.432276 0.912988 S\n0.750000 0.932276 0.587012 S\n0.750000 0.235987 0.055780 S\n0.250000 0.735987 0.444220 S\n0.750000 0.264013 0.555780 S\n0.750000 0.211885 0.781628 S\n0.250000 0.067724 0.412988 S\n0.750000 0.288115 0.281628 S\n0.250000 0.764013 0.944220 S\n0.250000 0.493281 0.573465 O\n0.750000 0.506719 0.426535 O\n0.750000 0.493475 0.729028 O\n0.250000 0.006719 0.073465 O\n0.250000 0.506525 0.270972 O\n0.750000 0.993281 0.926535 O\n0.750000 0.006525 0.229028 O\n0.250000 0.993475 0.770972 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "La",
                "Cu",
                "S",
                "O"
            ],
            "chemical_system": "Cu-La-O-S",
            "density": 5.790466558200168,
            "density_atomic": 0.051579561037669974,
            "volume": 697.9508796848467,
            "volume_molar": 11.675440113966586,
            "formula_full": "La12 Cu4 S12 O8",
            "formula_reduced": "La3CuS3O2",
            "formula_anonymous": "AB2C3D3",
            "energy": -263.55791327,
            "energy_per_atom": -7.321053146388888,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -252.02591327,
            "band_gap": 0.9670000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0025027,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:55.247000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-977387",
            "created_at": "2022-09-04T14:43:03.344896Z",
            "structure_string": "Tb1 Ag1 Hg2\n1.0\n0.000000 3.563087 3.563087\n3.563087 0.000000 3.563087\n3.563087 3.563087 0.000000\nTb Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Tb",
                "Ag",
                "Hg"
            ],
            "chemical_system": "Ag-Hg-Tb",
            "density": 12.260243272574229,
            "density_atomic": 0.04421307446368207,
            "volume": 90.4709760296294,
            "volume_molar": 13.620723808625353,
            "formula_full": "Tb1 Ag1 Hg2",
            "formula_reduced": "TbAgHg2",
            "formula_anonymous": "ABC2",
            "energy": -9.45908002,
            "energy_per_atom": -2.364770005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -9.45908002,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002166,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:06.681000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1009533",
            "created_at": "2022-09-04T14:43:03.351596Z",
            "structure_string": "Pd1 C1\n1.0\n0.000000 2.220000 2.220000\n2.220000 0.000000 2.220000\n2.220000 2.220000 0.000000\nPd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 C\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Pd",
                "C"
            ],
            "chemical_system": "C-Pd",
            "density": 8.98720141044919,
            "density_atomic": 0.09139892266261877,
            "volume": 21.882096000000004,
            "volume_molar": 6.588853111791649,
            "formula_full": "Pd1 C1",
            "formula_reduced": "PdC",
            "formula_anonymous": "AB",
            "energy": -11.43402039,
            "energy_per_atom": -5.717010195,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -11.43402039,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001308,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:06.173000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-626066",
            "created_at": "2022-09-04T14:43:03.352481Z",
            "structure_string": "H28 N4 O24\n1.0\n3.518497 0.000000 0.000000\n0.000000 9.994377 0.000000\n0.000000 0.000000 14.873664\nH N O\n28 4 24\ndirect\n0.342420 0.584846 0.737931 H\n0.842420 0.915154 0.262069 H\n0.657580 0.084846 0.762069 H\n0.157580 0.415154 0.237931 H\n0.967464 0.482077 0.666391 H\n0.265451 0.538726 0.591265 H\n0.765451 0.961274 0.408735 H\n0.467464 0.017923 0.333609 H\n0.734549 0.038726 0.908735 H\n0.032536 0.982077 0.833609 H\n0.234549 0.461274 0.091265 H\n0.532536 0.517923 0.166391 H\n0.162263 0.410789 0.959456 H\n0.156611 0.567856 0.974840 H\n0.662263 0.089211 0.040544 H\n0.656611 0.932144 0.025160 H\n0.837737 0.910789 0.540544 H\n0.843389 0.067856 0.525160 H\n0.337737 0.589211 0.459456 H\n0.343389 0.432144 0.474840 H\n0.143448 0.207328 0.881376 H\n0.468927 0.299229 0.844069 H\n0.643448 0.292672 0.118624 H\n0.968927 0.200771 0.155931 H\n0.531073 0.799229 0.655931 H\n0.856552 0.707328 0.618624 H\n0.031073 0.700771 0.344069 H\n0.356552 0.792672 0.381377 H\n0.314655 0.724168 0.832703 N\n0.814655 0.775832 0.167297 N\n0.685345 0.224168 0.667297 N\n0.185345 0.275832 0.332703 N\n0.437260 0.601788 0.807447 O\n0.937260 0.898212 0.192553 O\n0.562740 0.101788 0.692553 O\n0.062740 0.398212 0.307447 O\n0.284234 0.812690 0.774417 O\n0.784234 0.687310 0.225583 O\n0.715766 0.312690 0.725583 O\n0.215766 0.187310 0.274417 O\n0.242267 0.739367 0.913169 O\n0.742267 0.760633 0.086831 O\n0.757733 0.239367 0.586831 O\n0.257733 0.260633 0.413169 O\n0.148266 0.555457 0.656739 O\n0.648266 0.944543 0.343261 O\n0.851734 0.055457 0.843261 O\n0.351734 0.444543 0.156739 O\n0.078897 0.483099 0.002298 O\n0.578897 0.016901 0.997702 O\n0.921103 0.983099 0.497702 O\n0.421103 0.516901 0.502298 O\n0.298611 0.286580 0.895227 O\n0.798611 0.213420 0.104773 O\n0.701389 0.786580 0.604773 O\n0.201389 0.713420 0.395227 O\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "H",
                "N",
                "O"
            ],
            "chemical_system": "H-N-O",
            "density": 1.4865579104981061,
            "density_atomic": 0.10706737324568075,
            "volume": 523.0351534962974,
            "volume_molar": 5.624627351398052,
            "formula_full": "H28 N4 O24",
            "formula_reduced": "H7NO6",
            "formula_anonymous": "AB6C7",
            "energy": -309.03486553,
            "energy_per_atom": -5.518479741607143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -292.54686553,
            "band_gap": 3.0810000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012875,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:09.532000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-10850",
            "created_at": "2022-09-04T14:43:03.363773Z",
            "structure_string": "Sb4 Te4 Pd4\n1.0\n6.641364 0.000000 0.000000\n0.000000 6.641364 0.000000\n0.000000 0.000000 6.641364\nSb Te Pd\n4 4 4\ndirect\n0.627240 0.627240 0.627240 Sb\n0.872760 0.372760 0.127240 Sb\n0.127240 0.872760 0.372760 Sb\n0.372760 0.127240 0.872760 Sb\n0.374052 0.374052 0.374052 Te\n0.125948 0.625948 0.874052 Te\n0.874052 0.125948 0.625948 Te\n0.625948 0.874052 0.125948 Te\n0.003934 0.003934 0.003934 Pd\n0.496066 0.996066 0.503934 Pd\n0.503934 0.496066 0.996066 Pd\n0.996066 0.503934 0.496066 Pd\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Sb",
                "Te",
                "Pd"
            ],
            "chemical_system": "Pd-Sb-Te",
            "density": 8.067124666712955,
            "density_atomic": 0.04096466379914737,
            "volume": 292.93539570681804,
            "volume_molar": 14.700818221106315,
            "formula_full": "Sb4 Te4 Pd4",
            "formula_reduced": "SbTePd",
            "formula_anonymous": "ABC",
            "energy": -56.74052847,
            "energy_per_atom": -4.7283773725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -54.28452847,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0067625,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:57.723000Z",
            "spacegroup": 198
        },
        {
            "id": "mp-620652",
            "created_at": "2022-09-04T14:43:03.365980Z",
            "structure_string": "Na4 Sr8 Al4 P12\n1.0\n4.546312 6.750418 0.000000\n-4.546312 6.750418 0.000000\n0.000000 3.346343 11.077448\nNa Sr Al P\n4 8 4 12\ndirect\n0.301036 0.698964 0.000000 Na\n0.357280 0.357280 0.231156 Na\n0.642720 0.642720 0.768844 Na\n0.698964 0.301036 0.000000 Na\n0.748760 0.192405 0.685849 Sr\n0.251240 0.807595 0.314151 Sr\n0.192405 0.748760 0.685849 Sr\n0.500000 0.000000 0.500000 Sr\n0.807595 0.251240 0.314151 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.697515 0.697515 0.267444 Al\n0.090141 0.090141 0.882190 Al\n0.909859 0.909859 0.117810 Al\n0.302485 0.302485 0.732556 Al\n0.021044 0.612722 0.228534 P\n0.590700 0.590700 0.136620 P\n0.978956 0.387278 0.771466 P\n0.087175 0.087175 0.486492 P\n0.586435 0.586435 0.487893 P\n0.909830 0.909830 0.905851 P\n0.090170 0.090170 0.094149 P\n0.409300 0.409300 0.863380 P\n0.612722 0.021044 0.228534 P\n0.912825 0.912825 0.513508 P\n0.387278 0.978956 0.771466 P\n0.413565 0.413565 0.512107 P\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Na",
                "Sr",
                "Al",
                "P"
            ],
            "chemical_system": "Al-Na-P-Sr",
            "density": 3.1078327343400085,
            "density_atomic": 0.04118114454748713,
            "volume": 679.9228216620453,
            "volume_molar": 14.623539064232906,
            "formula_full": "Na4 Sr8 Al4 P12",
            "formula_reduced": "NaSr2AlP3",
            "formula_anonymous": "ABC2D3",
            "energy": -123.47304479,
            "energy_per_atom": -4.409751599642857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.47304479,
            "band_gap": 0.3122000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0045551,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:54.447000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-5706",
            "created_at": "2022-09-04T14:43:03.414386Z",
            "structure_string": "Sn4 P4 Se12\n1.0\n7.895084 0.000000 0.000000\n0.000000 6.959541 0.000000\n0.000000 6.766016 9.903268\nSn P Se\n4 4 12\ndirect\n0.626939 0.249219 0.786865 Sn\n0.126939 0.750781 0.713135 Sn\n0.373061 0.750781 0.213135 Sn\n0.873061 0.249219 0.286865 Sn\n0.897106 0.623264 0.431510 P\n0.397106 0.376736 0.068490 P\n0.102894 0.376736 0.568490 P\n0.602894 0.623264 0.931510 P\n0.989798 0.122002 0.767973 Se\n0.489798 0.877998 0.732027 Se\n0.010202 0.877998 0.232027 Se\n0.510202 0.122002 0.267973 Se\n0.193896 0.599464 0.062202 Se\n0.693896 0.400536 0.437798 Se\n0.806104 0.400536 0.937798 Se\n0.306104 0.599464 0.562202 Se\n0.305751 0.209061 0.965751 Se\n0.805751 0.790939 0.534249 Se\n0.694249 0.790939 0.034249 Se\n0.194249 0.209061 0.465751 Se\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Sn",
                "P",
                "Se"
            ],
            "chemical_system": "P-Se-Sn",
            "density": 4.718612818754472,
            "density_atomic": 0.03675480398017729,
            "volume": 544.1465559382784,
            "volume_molar": 16.384635769647634,
            "formula_full": "Sn4 P4 Se12",
            "formula_reduced": "SnPSe3",
            "formula_anonymous": "ABC3",
            "energy": -90.08934282,
            "energy_per_atom": -4.504467141,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.42534282,
            "band_gap": 1.3485999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0028682,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:59.869000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1522088",
            "created_at": "2022-09-04T14:43:03.449215Z",
            "structure_string": "Na1 Pr1 Hf1 Sn1 O6\n1.0\n0.000000 -4.082831 -4.082831\n4.082831 0.000000 -4.082831\n4.082831 -4.082831 0.000000\nNa Pr Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749647 0.250353 0.250353 O\n0.250353 0.749647 0.749647 O\n0.749647 0.250353 0.749647 O\n0.250353 0.749647 0.250353 O\n0.749647 0.749647 0.250353 O\n0.250353 0.250353 0.749647 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Na",
                "Pr",
                "Hf",
                "Sn",
                "O"
            ],
            "chemical_system": "Hf-Na-O-Pr-Sn",
            "density": 6.796154309481933,
            "density_atomic": 0.07346589833902643,
            "volume": 136.1175759922317,
            "volume_molar": 8.19719202535216,
            "formula_full": "Na1 Pr1 Hf1 Sn1 O6",
            "formula_reduced": "NaPrHfSnO6",
            "formula_anonymous": "ABCDE6",
            "energy": -79.41818717,
            "energy_per_atom": -7.941818716999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.29618717,
            "band_gap": 3.4145,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0007146,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:10.432000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1175714",
            "created_at": "2022-09-04T14:43:03.380251Z",
            "structure_string": "Li9 Mn2 Co5 O16\n1.0\n6.523441 0.000000 0.000000\n2.142198 6.326310 0.000000\n3.254346 1.124358 6.957727\nLi Mn Co O\n9 2 5 16\ndirect\n0.062625 0.438326 0.814785 Li\n0.687396 0.810446 0.934161 Li\n0.318666 0.185732 0.057336 Li\n0.943204 0.563019 0.182305 Li\n0.188744 0.321515 0.438977 Li\n0.799923 0.685965 0.573338 Li\n0.443121 0.056194 0.685984 Li\n0.557712 0.938763 0.312142 Li\n0.375464 0.626770 0.877433 Li\n0.998798 0.993993 0.998344 Mn\n0.251061 0.746310 0.247954 Mn\n0.742773 0.259534 0.752887 Co\n0.130945 0.868203 0.631237 Co\n0.500260 0.504490 0.506528 Co\n0.874032 0.128532 0.378118 Co\n0.625611 0.376993 0.121085 Co\n0.081365 0.142507 0.734544 O\n0.715747 0.511152 0.859364 O\n0.318164 0.903290 0.987993 O\n0.953785 0.261874 0.091981 O\n0.204500 0.014562 0.339479 O\n0.840493 0.397725 0.470870 O\n0.452978 0.783887 0.590255 O\n0.567651 0.659250 0.233837 O\n0.027933 0.740469 0.910412 O\n0.674676 0.090562 0.024820 O\n0.296305 0.484181 0.164549 O\n0.926968 0.846980 0.264290 O\n0.161881 0.608338 0.518706 O\n0.798269 0.976274 0.646677 O\n0.424991 0.343053 0.762665 O\n0.553959 0.231108 0.386944 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Li-Mn-O",
            "density": 4.181130109857319,
            "density_atomic": 0.11144366493315025,
            "volume": 287.1405926859573,
            "volume_molar": 5.403753334577067,
            "formula_full": "Li9 Mn2 Co5 O16",
            "formula_reduced": "Li9Mn2Co5O16",
            "formula_anonymous": "A2B5C9D16",
            "energy": -206.75562704,
            "energy_per_atom": -6.461113345,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -184.23762704,
            "band_gap": 1.4547999999999996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.05e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.037000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1197152",
            "created_at": "2022-09-04T14:43:01.837874Z",
            "structure_string": "Nd8 Tm8 S24\n1.0\n3.950629 0.000000 0.000000\n0.000000 11.012848 0.000000\n0.000000 4.288635 21.088615\nNd Tm S\n8 8 24\ndirect\n0.250000 0.303435 0.765477 Nd\n0.750000 0.696565 0.234523 Nd\n0.250000 0.907476 0.863127 Nd\n0.750000 0.092524 0.136873 Nd\n0.250000 0.692532 0.731848 Nd\n0.750000 0.307468 0.268152 Nd\n0.250000 0.798744 0.536366 Nd\n0.750000 0.201256 0.463634 Nd\n0.250000 0.552739 0.417040 Tm\n0.750000 0.447261 0.582960 Tm\n0.250000 0.970622 0.351791 Tm\n0.750000 0.029378 0.648209 Tm\n0.250000 0.820404 0.046497 Tm\n0.750000 0.179596 0.953503 Tm\n0.250000 0.477083 0.088474 Tm\n0.750000 0.522917 0.911526 Tm\n0.250000 0.085257 0.037577 S\n0.750000 0.914743 0.962423 S\n0.250000 0.204574 0.366570 S\n0.750000 0.795426 0.633430 S\n0.250000 0.746158 0.323711 S\n0.750000 0.253842 0.676289 S\n0.250000 0.636058 0.963756 S\n0.750000 0.363942 0.036244 S\n0.250000 0.504607 0.221010 S\n0.750000 0.495393 0.778990 S\n0.250000 0.252995 0.174288 S\n0.750000 0.747005 0.825712 S\n0.250000 0.875462 0.163922 S\n0.750000 0.124538 0.836078 S\n0.250000 0.355058 0.514753 S\n0.750000 0.644942 0.485247 S\n0.250000 0.057291 0.555086 S\n0.750000 0.942709 0.444914 S\n0.250000 0.961007 0.728706 S\n0.750000 0.038993 0.271294 S\n0.250000 0.548602 0.633448 S\n0.750000 0.451398 0.366552 S\n0.250000 0.342188 0.900350 S\n0.750000 0.657812 0.099650 S\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Nd",
                "Tm",
                "S"
            ],
            "chemical_system": "Nd-S-Tm",
            "density": 5.927102398191692,
            "density_atomic": 0.043595939432549455,
            "volume": 917.5166430783536,
            "volume_molar": 13.813535935651311,
            "formula_full": "Nd8 Tm8 S24",
            "formula_reduced": "NdTmS3",
            "formula_anonymous": "ABC3",
            "energy": -268.11191419,
            "energy_per_atom": -6.70279785475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -256.03991419,
            "band_gap": 0.6389999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0022459,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:03.052000Z",
            "spacegroup": 11
        }
    ]
}