GET /third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10198
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=-formula_full&page=10199",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10197",
    "results": [
        {
            "id": "mp-1205986",
            "created_at": "2022-09-04T14:39:08.843671Z",
            "structure_string": "Co6 N2\n1.0\n2.274956 -3.940339 0.000000\n2.274956 3.940339 0.000000\n0.000000 0.000000 4.331830\nCo N\n6 2\ndirect\n0.326136 0.000000 0.000000 Co\n0.000000 0.326136 0.000000 Co\n0.673864 0.000000 0.500000 Co\n0.673864 0.673864 0.000000 Co\n0.000000 0.673864 0.500000 Co\n0.326136 0.326136 0.500000 Co\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Co",
                "N"
            ],
            "chemical_system": "Co-N",
            "density": 8.159504384942773,
            "density_atomic": 0.10301061928844439,
            "volume": 77.66189597985876,
            "volume_molar": 5.846135865989845,
            "formula_full": "Co6 N2",
            "formula_reduced": "Co3N",
            "formula_anonymous": "AB3",
            "energy": -59.45828912,
            "energy_per_atom": -7.43228614,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.73628912,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.8663733,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:40.194000Z",
            "spacegroup": 182
        },
        {
            "id": "mp-1139",
            "created_at": "2022-09-04T14:41:33.077483Z",
            "structure_string": "Co6 Mo2\n1.0\n2.556076 -4.427254 0.000000\n2.556076 4.427254 0.000000\n0.000000 0.000000 4.088707\nCo Mo\n6 2\ndirect\n0.838125 0.676250 0.250000 Co\n0.161875 0.838125 0.750000 Co\n0.676250 0.838125 0.750000 Co\n0.323750 0.161875 0.250000 Co\n0.838125 0.161875 0.250000 Co\n0.161875 0.323750 0.750000 Co\n0.333333 0.666667 0.250000 Mo\n0.666667 0.333333 0.750000 Mo\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Co",
                "Mo"
            ],
            "chemical_system": "Co-Mo",
            "density": 9.788205563199984,
            "density_atomic": 0.0864501597152109,
            "volume": 92.53886894314667,
            "volume_molar": 6.966026181835271,
            "formula_full": "Co6 Mo2",
            "formula_reduced": "Co3Mo",
            "formula_anonymous": "AB3",
            "energy": -64.76256225,
            "energy_per_atom": -8.09532028125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.76256225,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.8767753,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:20.144000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1183756",
            "created_at": "2022-09-04T14:39:15.207253Z",
            "structure_string": "Co6 I2\n1.0\n3.195042 -5.533974 0.000000\n3.195042 5.533974 0.000000\n0.000000 0.000000 3.873233\nCo I\n6 2\ndirect\n0.126945 0.253889 0.250000 Co\n0.746111 0.873055 0.250000 Co\n0.126945 0.873055 0.250000 Co\n0.873055 0.746111 0.750000 Co\n0.253889 0.126945 0.750000 Co\n0.873055 0.126945 0.750000 Co\n0.333333 0.666667 0.750000 I\n0.666667 0.333333 0.250000 I\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Co",
                "I"
            ],
            "chemical_system": "Co-I",
            "density": 7.363976243320794,
            "density_atomic": 0.05840804661748646,
            "volume": 136.96742937478967,
            "volume_molar": 10.310464240379277,
            "formula_full": "Co6 I2",
            "formula_reduced": "Co3I",
            "formula_anonymous": "AB3",
            "energy": -41.299408500000006,
            "energy_per_atom": -5.162426062500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.5414085,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.5853557,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:35.438000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1022803",
            "created_at": "2022-09-04T14:43:55.958312Z",
            "structure_string": "Co6 H6 C6 O24\n1.0\n5.111180 -8.852824 0.000000\n5.111180 8.852824 0.000000\n0.000000 0.000000 6.198296\nCo H C O\n6 6 6 24\ndirect\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.190108 0.639710 0.750000 H\n0.449603 0.809892 0.750000 H\n0.360290 0.550397 0.750000 H\n0.639710 0.449603 0.250000 H\n0.550397 0.190108 0.250000 H\n0.809892 0.360290 0.250000 H\n0.201812 0.763740 0.250000 C\n0.236260 0.438073 0.250000 C\n0.561927 0.798188 0.250000 C\n0.438073 0.201812 0.750000 C\n0.763740 0.561927 0.750000 C\n0.798188 0.236260 0.750000 C\n0.144968 0.703286 0.435051 O\n0.144968 0.703286 0.064949 O\n0.323098 0.894115 0.250000 O\n0.121756 0.528980 0.750000 O\n0.105885 0.428984 0.250000 O\n0.407224 0.878244 0.750000 O\n0.296714 0.441681 0.435051 O\n0.296714 0.441681 0.064949 O\n0.558319 0.855032 0.064949 O\n0.558319 0.855032 0.435051 O\n0.471020 0.592776 0.750000 O\n0.571016 0.676902 0.250000 O\n0.428984 0.323098 0.750000 O\n0.528980 0.407224 0.250000 O\n0.441681 0.144968 0.564949 O\n0.441681 0.144968 0.935051 O\n0.703286 0.558319 0.935051 O\n0.703286 0.558319 0.564949 O\n0.592776 0.121756 0.250000 O\n0.894115 0.571016 0.750000 O\n0.878244 0.471020 0.250000 O\n0.676902 0.105885 0.750000 O\n0.855032 0.296714 0.935051 O\n0.855032 0.296714 0.564949 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Co",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-Co-H-O",
            "density": 2.414751480809484,
            "density_atomic": 0.0748762311959221,
            "volume": 560.9256679880464,
            "volume_molar": 8.042793639335812,
            "formula_full": "Co6 H6 C6 O24",
            "formula_reduced": "CoHCO4",
            "formula_anonymous": "ABCD4",
            "energy": -298.3199652,
            "energy_per_atom": -7.102856314285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -272.0039652,
            "band_gap": 0.1667,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0000651,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:26.621000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-600169",
            "created_at": "2022-09-04T14:39:41.640748Z",
            "structure_string": "Co6 H6 C6 O18\n1.0\n4.954695 -5.457689 0.000000\n4.954695 5.457689 0.000000\n-1.057051 0.000000 7.295067\nCo H C O\n6 6 6 18\ndirect\n0.476734 0.214079 0.564735 Co\n0.523266 0.785921 0.435265 Co\n0.564735 0.476734 0.214079 Co\n0.214079 0.564735 0.476734 Co\n0.435265 0.523266 0.785921 Co\n0.785921 0.435265 0.523266 Co\n0.087541 0.040541 0.346493 H\n0.912459 0.959459 0.653507 H\n0.040541 0.346493 0.087541 H\n0.653507 0.912459 0.959459 H\n0.346493 0.087541 0.040541 H\n0.959459 0.653507 0.912459 H\n0.930978 0.380894 0.172199 C\n0.069022 0.619106 0.827801 C\n0.619106 0.827801 0.069022 C\n0.380894 0.172199 0.930978 C\n0.827801 0.069022 0.619106 C\n0.172199 0.930978 0.380894 C\n0.618099 0.905969 0.227308 O\n0.772692 0.381901 0.094031 O\n0.406090 0.703322 0.628237 O\n0.371763 0.593910 0.296678 O\n0.094031 0.772692 0.381901 O\n0.978577 0.415041 0.345539 O\n0.381901 0.094031 0.772692 O\n0.593910 0.296678 0.371763 O\n0.415041 0.345539 0.978577 O\n0.227308 0.618099 0.905969 O\n0.296678 0.371763 0.593910 O\n0.628237 0.406090 0.703322 O\n0.703322 0.628237 0.406090 O\n0.905969 0.227308 0.618099 O\n0.345539 0.978577 0.415041 O\n0.654461 0.021423 0.584959 O\n0.584959 0.654461 0.021423 O\n0.021423 0.584959 0.654461 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Co",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-Co-H-O",
            "density": 3.0291148254297844,
            "density_atomic": 0.09124677219099576,
            "volume": 394.53450391259406,
            "volume_molar": 6.5998397701067,
            "formula_full": "Co6 H6 C6 O18",
            "formula_reduced": "CoHCO3",
            "formula_anonymous": "ABCD3",
            "energy": -248.54850054,
            "energy_per_atom": -6.904125015,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -226.35450054,
            "band_gap": 1.9825,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001434,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:34.601000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-698267",
            "created_at": "2022-09-04T14:39:08.330553Z",
            "structure_string": "Co6 H6 C6 O18\n1.0\n6.873101 0.000000 0.000000\n1.024513 8.044706 0.000000\n1.406917 2.665854 8.863132\nCo H C O\n6 6 6 18\ndirect\n0.997055 0.033725 0.763302 Co\n0.263070 0.257751 0.614149 Co\n0.728775 0.141481 0.987262 Co\n0.002945 0.966275 0.236698 Co\n0.736930 0.742249 0.385851 Co\n0.271225 0.858519 0.012738 Co\n0.508239 0.886510 0.743015 H\n0.842285 0.440482 0.713014 H\n0.013377 0.715682 0.917399 H\n0.491761 0.113490 0.256985 H\n0.157715 0.559518 0.286986 H\n0.986623 0.284318 0.082601 H\n0.161404 0.463155 0.223296 C\n0.428945 0.235707 0.182815 C\n0.420177 0.566231 0.521337 C\n0.838596 0.536845 0.776704 C\n0.571055 0.764293 0.817185 C\n0.579823 0.433769 0.478663 C\n0.480108 0.290948 0.045583 O\n0.687629 0.669926 0.735311 O\n0.738108 0.970231 0.309931 O\n0.519892 0.709052 0.954417 O\n0.312371 0.330074 0.264689 O\n0.261892 0.029769 0.690069 O\n0.042775 0.461135 0.142286 O\n0.737554 0.048458 0.831858 O\n0.002184 0.254712 0.638467 O\n0.957225 0.538865 0.857714 O\n0.262446 0.951542 0.168142 O\n0.997816 0.745288 0.361533 O\n0.943506 0.173838 0.079869 O\n0.540654 0.276057 0.519991 O\n0.260514 0.506652 0.595011 O\n0.056494 0.826162 0.920131 O\n0.459346 0.723943 0.480009 O\n0.739486 0.493348 0.404989 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Co",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-Co-H-O",
            "density": 2.4386563594989004,
            "density_atomic": 0.07346024634630587,
            "volume": 490.0609757049957,
            "volume_molar": 8.197822712995624,
            "formula_full": "Co6 H6 C6 O18",
            "formula_reduced": "CoHCO3",
            "formula_anonymous": "ABCD3",
            "energy": -243.92500502,
            "energy_per_atom": -6.775694583888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -221.73100502,
            "band_gap": 1.3156,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 13.9999228,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:35.097000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-505097",
            "created_at": "2022-09-04T14:42:23.772190Z",
            "structure_string": "Co6 H4 Se6 O20\n1.0\n8.230728 0.000000 0.000000\n3.188812 7.720000 0.000000\n3.927195 1.742485 7.542033\nCo H Se O\n6 4 6 20\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.654121 0.034608 0.800995 Co\n0.345879 0.965392 0.199005 Co\n0.716586 0.856838 0.391182 Co\n0.283414 0.143162 0.608818 Co\n0.032608 0.873646 0.694418 H\n0.967392 0.126354 0.305582 H\n0.941594 0.812828 0.599369 H\n0.058406 0.187172 0.400631 H\n0.569962 0.233067 0.239530 Se\n0.430038 0.766933 0.760470 Se\n0.794951 0.669077 0.068560 Se\n0.205049 0.330923 0.931440 Se\n0.171870 0.674381 0.299896 Se\n0.828130 0.325619 0.700104 Se\n0.305749 0.715996 0.381339 O\n0.694251 0.284004 0.618661 O\n0.547546 0.694950 0.562016 O\n0.452454 0.305050 0.437984 O\n0.208183 0.898499 0.755515 O\n0.791817 0.101501 0.244485 O\n0.532790 0.945743 0.673811 O\n0.467210 0.054257 0.326189 O\n0.946858 0.732320 0.455807 O\n0.053142 0.267680 0.544193 O\n0.706159 0.516142 0.250763 O\n0.293841 0.483858 0.749237 O\n0.597100 0.829068 0.029968 O\n0.402900 0.170932 0.970032 O\n0.867760 0.785101 0.149206 O\n0.132240 0.214899 0.850794 O\n0.190833 0.860947 0.122002 O\n0.809167 0.139053 0.877998 O\n0.913439 0.870252 0.695977 O\n0.086561 0.129748 0.304023 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Co",
                "H",
                "Se",
                "O"
            ],
            "chemical_system": "Co-H-O-Se",
            "density": 3.9895452627774253,
            "density_atomic": 0.07512050905508796,
            "volume": 479.22997930698523,
            "volume_molar": 8.0166399772182,
            "formula_full": "Co6 H4 Se6 O20",
            "formula_reduced": "Co3H2Se3O10",
            "formula_anonymous": "A2B3C3D10",
            "energy": -223.40053199,
            "energy_per_atom": -6.205570333055555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -199.83253199,
            "band_gap": 2.486,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.9999617,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:48.599000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1195522",
            "created_at": "2022-09-04T14:42:45.049439Z",
            "structure_string": "Co6 H42 C18 N6 O36\n1.0\n6.362791 -11.020678 0.000000\n6.362791 11.020678 0.000000\n0.000000 0.000000 8.331852\nCo H C N O\n6 42 18 6 36\ndirect\n0.003795 0.335642 0.586919 Co\n0.331847 0.996205 0.586919 Co\n0.664358 0.668153 0.586919 Co\n0.996205 0.664358 0.086919 Co\n0.668153 0.003795 0.086919 Co\n0.335642 0.331847 0.086919 Co\n0.132890 0.274192 0.325559 H\n0.141301 0.867110 0.325559 H\n0.725808 0.858699 0.325559 H\n0.867110 0.725808 0.825559 H\n0.858699 0.132890 0.825559 H\n0.274192 0.141301 0.825559 H\n0.056761 0.510917 0.307392 H\n0.454156 0.943239 0.307392 H\n0.489083 0.545844 0.307392 H\n0.943239 0.489083 0.807392 H\n0.545844 0.056761 0.807392 H\n0.510917 0.454156 0.807392 H\n0.787255 0.176131 0.371670 H\n0.388876 0.212745 0.371670 H\n0.823869 0.611124 0.371670 H\n0.212745 0.823869 0.871670 H\n0.611124 0.787255 0.871670 H\n0.176131 0.388876 0.871670 H\n0.271163 0.578520 0.496467 H\n0.307357 0.728837 0.496467 H\n0.421480 0.692643 0.496467 H\n0.728837 0.421480 0.996467 H\n0.692643 0.271163 0.996467 H\n0.578520 0.307357 0.996467 H\n0.333333 0.666667 0.658155 H\n0.666667 0.333333 0.158155 H\n0.754972 0.359774 0.496858 H\n0.604802 0.245028 0.496858 H\n0.640226 0.395198 0.496858 H\n0.245028 0.640226 0.996858 H\n0.395198 0.754972 0.996858 H\n0.359774 0.604802 0.996858 H\n0.666667 0.333333 0.658689 H\n0.333333 0.666667 0.158689 H\n0.938951 0.027428 0.169701 H\n0.088477 0.061049 0.169701 H\n0.972572 0.911523 0.169701 H\n0.061049 0.972572 0.669701 H\n0.911523 0.938951 0.669701 H\n0.027428 0.088477 0.669701 H\n0.000000 0.000000 0.007252 H\n0.000000 0.000000 0.507252 H\n0.189299 0.373842 0.332434 C\n0.184543 0.810701 0.332434 C\n0.626158 0.815457 0.332434 C\n0.810701 0.626158 0.832434 C\n0.815457 0.189299 0.832434 C\n0.373842 0.184543 0.832434 C\n0.958520 0.473744 0.325382 C\n0.515224 0.041480 0.325382 C\n0.526256 0.484776 0.325382 C\n0.041480 0.526256 0.825382 C\n0.484776 0.958520 0.825382 C\n0.473744 0.515224 0.825382 C\n0.851110 0.142648 0.350124 C\n0.291538 0.148890 0.350124 C\n0.857352 0.708462 0.350124 C\n0.148890 0.857352 0.850124 C\n0.708462 0.851110 0.850124 C\n0.142648 0.291538 0.850124 C\n0.333333 0.666667 0.535484 N\n0.666667 0.333333 0.035484 N\n0.666667 0.333333 0.535920 N\n0.333333 0.666667 0.035920 N\n0.000000 0.000000 0.130047 N\n0.000000 0.000000 0.630047 N\n0.161976 0.426755 0.441426 O\n0.264779 0.838024 0.441426 O\n0.573245 0.735221 0.441426 O\n0.838024 0.573245 0.941426 O\n0.735221 0.161976 0.941426 O\n0.426755 0.264779 0.941426 O\n0.275808 0.428408 0.234379 O\n0.152600 0.724192 0.234379 O\n0.571592 0.847400 0.234379 O\n0.724192 0.571592 0.734379 O\n0.847400 0.275808 0.734379 O\n0.428408 0.152600 0.734379 O\n0.908179 0.399017 0.440704 O\n0.490838 0.091821 0.440704 O\n0.600983 0.509162 0.440704 O\n0.091821 0.600983 0.940704 O\n0.509162 0.908179 0.940704 O\n0.399017 0.490838 0.940704 O\n0.902815 0.508199 0.232580 O\n0.605384 0.097185 0.232580 O\n0.491801 0.394616 0.232580 O\n0.097185 0.491801 0.732580 O\n0.394616 0.902815 0.732580 O\n0.508199 0.605384 0.732580 O\n0.942082 0.178254 0.441593 O\n0.236172 0.057918 0.441593 O\n0.821746 0.763828 0.441593 O\n0.057918 0.821746 0.941593 O\n0.763828 0.942082 0.941593 O\n0.178254 0.236172 0.941593 O\n0.828010 0.070107 0.232456 O\n0.242097 0.171990 0.232456 O\n0.929893 0.757903 0.232456 O\n0.171990 0.929893 0.732456 O\n0.757903 0.828010 0.732456 O\n0.070107 0.242097 0.732456 O\n",
            "nsites": 108,
            "nelements": 5,
            "elements": [
                "Co",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Co-H-N-O",
            "density": 1.807830903615917,
            "density_atomic": 0.09242644335909492,
            "volume": 1168.4967642906993,
            "volume_molar": 6.515603696447345,
            "formula_full": "Co6 H42 C18 N6 O36",
            "formula_reduced": "CoH7C3NO6",
            "formula_anonymous": "ABC3D6E7",
            "energy": -695.72118458,
            "energy_per_atom": -6.441862820185185,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -658.99518458,
            "band_gap": 1.9593,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.9791512,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:49.232000Z",
            "spacegroup": 173
        },
        {
            "id": "mp-1196066",
            "created_at": "2022-09-04T14:40:27.841343Z",
            "structure_string": "Co6 H36 C12 O36\n1.0\n0.000000 -5.533289 0.000000\n-9.506565 0.000000 2.587491\n0.062877 0.000000 -15.326276\nCo H C O\n6 36 12 36\ndirect\n0.620685 0.041042 0.179340 Co\n0.120685 0.958958 0.320660 Co\n0.379315 0.958958 0.820660 Co\n0.879315 0.041042 0.679340 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.745493 0.174966 0.055913 H\n0.245493 0.825034 0.444087 H\n0.254507 0.825034 0.944087 H\n0.754507 0.174966 0.555913 H\n0.729212 0.013976 0.997403 H\n0.229212 0.986024 0.502597 H\n0.270788 0.986024 0.002597 H\n0.770788 0.013976 0.497403 H\n0.145194 0.052855 0.158877 H\n0.645194 0.947145 0.341123 H\n0.854806 0.947145 0.841123 H\n0.354806 0.052855 0.658877 H\n0.252223 0.203821 0.161120 H\n0.752223 0.796179 0.338880 H\n0.747777 0.796179 0.838880 H\n0.247777 0.203821 0.661120 H\n0.598616 0.178646 0.422681 H\n0.098616 0.821354 0.077319 H\n0.401384 0.821354 0.577319 H\n0.901384 0.178646 0.922681 H\n0.069704 0.626356 0.471906 H\n0.569704 0.373644 0.028094 H\n0.930296 0.373644 0.528094 H\n0.430296 0.626356 0.971906 H\n0.205547 0.561348 0.379984 H\n0.705547 0.438652 0.120016 H\n0.794453 0.438652 0.620016 H\n0.294453 0.561348 0.879984 H\n0.141922 0.456932 0.202965 H\n0.641922 0.543068 0.297035 H\n0.858078 0.543068 0.797035 H\n0.358078 0.456932 0.702965 H\n0.988247 0.358637 0.247566 H\n0.488247 0.641363 0.252434 H\n0.011753 0.641363 0.752434 H\n0.511753 0.358637 0.747566 H\n0.477416 0.184670 0.366234 C\n0.977416 0.815330 0.133766 C\n0.522584 0.815330 0.633766 C\n0.022584 0.184670 0.866234 C\n0.606491 0.292307 0.325175 C\n0.106491 0.707693 0.174825 C\n0.393509 0.707693 0.674825 C\n0.893509 0.292307 0.825175 C\n0.235061 0.238774 0.412943 C\n0.735061 0.761226 0.087057 C\n0.764939 0.761226 0.587057 C\n0.264939 0.238774 0.912943 C\n0.764462 0.076331 0.057822 O\n0.264462 0.923669 0.442178 O\n0.235538 0.923669 0.942178 O\n0.735538 0.076331 0.557822 O\n0.278126 0.102040 0.133602 O\n0.778126 0.897960 0.366398 O\n0.721874 0.897960 0.866398 O\n0.221874 0.102040 0.633602 O\n0.454874 0.051646 0.303778 O\n0.954874 0.948354 0.196222 O\n0.545126 0.948354 0.696222 O\n0.045126 0.051646 0.803778 O\n0.700632 0.248141 0.247429 O\n0.200632 0.751859 0.252571 O\n0.299368 0.751859 0.752571 O\n0.799368 0.248141 0.747429 O\n0.625969 0.420323 0.371445 O\n0.125969 0.579677 0.128555 O\n0.374031 0.579677 0.628555 O\n0.874031 0.420323 0.871445 O\n0.049828 0.162925 0.391171 O\n0.549828 0.837075 0.108829 O\n0.950172 0.837075 0.608829 O\n0.450172 0.162925 0.891171 O\n0.228392 0.355032 0.475427 O\n0.728392 0.644968 0.024573 O\n0.771608 0.644968 0.524573 O\n0.271608 0.355032 0.975427 O\n0.228419 0.625805 0.440680 O\n0.728419 0.374195 0.059320 O\n0.771581 0.374195 0.559320 O\n0.271581 0.625805 0.940680 O\n0.154224 0.392226 0.242248 O\n0.654224 0.607774 0.257752 O\n0.845776 0.607774 0.757752 O\n0.345776 0.392226 0.742248 O\n",
            "nsites": 90,
            "nelements": 4,
            "elements": [
                "Co",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-Co-H-O",
            "density": 2.2888138478982043,
            "density_atomic": 0.11175941247007191,
            "volume": 805.301298663333,
            "volume_molar": 5.388486416401546,
            "formula_full": "Co6 H36 C12 O36",
            "formula_reduced": "CoH6(CO3)2",
            "formula_anonymous": "AB2C6D6",
            "energy": -566.44578495,
            "energy_per_atom": -6.293842055,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -531.88578495,
            "band_gap": 2.537,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 18.0004937,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:47.696000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1213953",
            "created_at": "2022-09-04T14:45:01.730248Z",
            "structure_string": "Co6 H24 S6 O36\n1.0\n0.000000 7.633065 0.000000\n0.000000 0.000000 10.053377\n9.285098 -3.816533 0.000000\nCo H S O\n6 24 6 36\ndirect\n0.121527 0.020308 0.167078 Co\n0.878473 0.520308 0.832922 Co\n0.045551 0.520308 0.167078 Co\n0.954449 0.020308 0.832922 Co\n0.298303 0.305035 0.000000 Co\n0.701697 0.805035 0.000000 Co\n0.591072 0.353326 0.818446 H\n0.408928 0.853326 0.181554 H\n0.227374 0.853326 0.818446 H\n0.772626 0.353326 0.181554 H\n0.294058 0.059666 0.000000 H\n0.705942 0.559666 0.000000 H\n0.297722 0.020302 0.535176 H\n0.702278 0.520302 0.464824 H\n0.237454 0.520302 0.535176 H\n0.762546 0.020302 0.464824 H\n0.519435 0.323029 0.562535 H\n0.480565 0.823029 0.437465 H\n0.043100 0.823029 0.562535 H\n0.956900 0.323029 0.437465 H\n0.491777 0.477426 0.716634 H\n0.508223 0.977426 0.283366 H\n0.224857 0.977426 0.716634 H\n0.775143 0.477426 0.283366 H\n0.470560 0.047797 0.679380 H\n0.529440 0.547797 0.320620 H\n0.208820 0.547797 0.679380 H\n0.791180 0.047797 0.320620 H\n0.033575 0.808155 0.000000 H\n0.966425 0.308155 0.000000 H\n0.356587 0.292684 0.332330 S\n0.643413 0.792684 0.667670 S\n0.975743 0.792684 0.332330 S\n0.024257 0.292684 0.667670 S\n0.686487 0.122141 0.000000 S\n0.313513 0.622141 0.000000 S\n0.438891 0.298343 0.222155 O\n0.561109 0.798343 0.777845 O\n0.783263 0.798343 0.222155 O\n0.216737 0.298343 0.777845 O\n0.258226 0.417181 0.340848 O\n0.741774 0.917181 0.659152 O\n0.082622 0.917181 0.340848 O\n0.917378 0.417181 0.659152 O\n0.576422 0.999404 0.000000 O\n0.423578 0.499404 0.000000 O\n0.574130 0.243333 0.000000 O\n0.425870 0.743333 0.000000 O\n0.609292 0.418314 0.751748 O\n0.390708 0.918314 0.248252 O\n0.142456 0.918314 0.751748 O\n0.857544 0.418314 0.248252 O\n0.333229 0.055191 0.632934 O\n0.666771 0.555191 0.367066 O\n0.299705 0.555191 0.632934 O\n0.700295 0.055191 0.367066 O\n0.734943 0.127133 0.868823 O\n0.265057 0.627133 0.131177 O\n0.133880 0.627133 0.868823 O\n0.866120 0.127133 0.131177 O\n0.041264 0.386916 0.000000 O\n0.958736 0.886916 0.000000 O\n0.243039 0.172968 0.322141 O\n0.756961 0.672968 0.677859 O\n0.079102 0.672968 0.322141 O\n0.920898 0.172968 0.677859 O\n0.183404 0.109562 0.000000 O\n0.816596 0.609562 0.000000 O\n0.536115 0.284344 0.476906 O\n0.463885 0.784344 0.523094 O\n0.940791 0.784344 0.476906 O\n0.059209 0.284344 0.523094 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Co",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Co-H-O-S",
            "density": 2.6711373214630982,
            "density_atomic": 0.10104971082989538,
            "volume": 712.5205941578897,
            "volume_molar": 5.959582378357841,
            "formula_full": "Co6 H24 S6 O36",
            "formula_reduced": "CoH4SO6",
            "formula_anonymous": "ABC4D6",
            "energy": -432.69408705,
            "energy_per_atom": -6.009640097916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -398.13408705,
            "band_gap": 2.8042,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 18.0000627,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:54.068000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-1025425",
            "created_at": "2022-09-04T14:48:25.520860Z",
            "structure_string": "Co6 H2\n1.0\n1.272736 -2.204443 0.000000\n1.272736 2.204443 0.000000\n0.000000 0.000000 12.285702\nCo H\n6 2\ndirect\n0.333333 0.666667 0.088898 Co\n0.666667 0.333333 0.588898 Co\n0.333333 0.666667 0.411102 Co\n0.666667 0.333333 0.911102 Co\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Co",
                "H"
            ],
            "chemical_system": "Co-H",
            "density": 8.565684125847453,
            "density_atomic": 0.11604403251072119,
            "volume": 68.93934851204769,
            "volume_molar": 5.189530758028098,
            "formula_full": "Co6 H2",
            "formula_reduced": "Co3H",
            "formula_anonymous": "AB3",
            "energy": -49.76474082,
            "energy_per_atom": -6.2205926025,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -49.40674082,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.805881,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:15.546000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1204815",
            "created_at": "2022-09-04T14:41:33.421080Z",
            "structure_string": "Co6 H12 C6 O18\n1.0\n5.175645 -5.781799 0.000000\n5.175645 5.781799 0.000000\n-1.283299 0.000000 7.653080\nCo H C O\n6 12 6 18\ndirect\n0.703859 0.068913 0.977485 Co\n0.977485 0.703859 0.068913 Co\n0.068913 0.977485 0.703859 Co\n0.296141 0.931087 0.022515 Co\n0.022515 0.296141 0.931087 Co\n0.931087 0.022515 0.296141 Co\n0.680778 0.793095 0.100850 H\n0.100850 0.680778 0.793095 H\n0.793095 0.100850 0.680778 H\n0.319222 0.206905 0.899150 H\n0.899150 0.319222 0.206905 H\n0.206905 0.899150 0.319222 H\n0.531092 0.849914 0.597414 H\n0.597414 0.531092 0.849914 H\n0.849914 0.597414 0.531092 H\n0.468908 0.150086 0.402586 H\n0.402586 0.468908 0.150086 H\n0.150086 0.402586 0.468908 H\n0.423090 0.881840 0.672530 C\n0.672530 0.423090 0.881840 C\n0.881840 0.672530 0.423090 C\n0.576910 0.118160 0.327470 C\n0.327470 0.576910 0.118160 C\n0.118160 0.327470 0.576910 C\n0.462144 0.912592 0.838736 O\n0.838736 0.462144 0.912592 O\n0.912592 0.838736 0.462144 O\n0.537856 0.087408 0.161264 O\n0.161264 0.537856 0.087408 O\n0.087408 0.161264 0.537856 O\n0.275512 0.885098 0.587728 O\n0.587728 0.275512 0.885098 O\n0.885098 0.587728 0.275512 O\n0.724488 0.114902 0.412272 O\n0.412272 0.724488 0.114902 O\n0.114902 0.412272 0.724488 O\n0.789069 0.856258 0.074072 O\n0.074072 0.789069 0.856258 O\n0.856258 0.074072 0.789069 O\n0.210931 0.143742 0.925928 O\n0.925928 0.210931 0.143742 O\n0.143742 0.925928 0.210931 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Co",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-Co-H-O",
            "density": 2.6311229132175353,
            "density_atomic": 0.09169709382132982,
            "volume": 458.02978316669737,
            "volume_molar": 6.567428158338405,
            "formula_full": "Co6 H12 C6 O18",
            "formula_reduced": "CoH2CO3",
            "formula_anonymous": "ABC2D3",
            "energy": -276.26566944,
            "energy_per_atom": -6.577754034285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -254.07166944,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9999998,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:27.764000Z",
            "spacegroup": 148
        }
    ]
}