GET /third-parties/MatprojStructure/?format=api&ordering=-density&page=11551
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=-density&page=11552",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=11550",
    "results": [
        {
            "id": "mp-1287",
            "created_at": "2022-09-04T14:40:15.326230Z",
            "structure_string": "K6 S6\n1.0\n4.293041 -7.435766 0.000000\n4.293041 7.435766 0.000000\n0.000000 0.000000 5.920854\nK S\n6 6\ndirect\n0.000000 0.642561 0.500000 K\n0.357439 0.357439 0.500000 K\n0.642561 0.000000 0.500000 K\n0.000000 0.307123 0.000000 K\n0.692877 0.692877 0.000000 K\n0.307123 0.000000 0.000000 K\n0.666667 0.333333 0.181137 S\n0.666667 0.333333 0.818863 S\n0.333333 0.666667 0.818863 S\n0.333333 0.666667 0.181137 S\n0.000000 0.000000 0.679870 S\n0.000000 0.000000 0.320130 S\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "K",
                "S"
            ],
            "chemical_system": "K-S",
            "density": 1.8756479585491195,
            "density_atomic": 0.031745059676807845,
            "volume": 378.01157478267095,
            "volume_molar": 18.970324268754254,
            "formula_full": "K6 S6",
            "formula_reduced": "KS",
            "formula_anonymous": "AB",
            "energy": -45.68144011,
            "energy_per_atom": -3.806786675833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -42.66344011,
            "band_gap": 1.469,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002691,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:51.838000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-1221121",
            "created_at": "2022-09-04T14:40:53.903638Z",
            "structure_string": "Na4 Si8 H28 O32\n1.0\n-5.006409 0.000000 0.000000\n0.000000 0.000000 -7.413339\n0.000000 -20.441376 0.000000\nNa Si H O\n4 8 28 32\ndirect\n0.500741 0.752748 0.519537 Na\n0.999259 0.252748 0.980463 Na\n0.500741 0.252748 0.480463 Na\n0.999259 0.752748 0.019537 Na\n0.954749 0.457507 0.290595 Si\n0.545251 0.957507 0.209405 Si\n0.456330 0.538453 0.203189 Si\n0.043670 0.038453 0.296811 Si\n0.043670 0.538453 0.703189 Si\n0.456330 0.038453 0.796811 Si\n0.545251 0.457507 0.790595 Si\n0.954749 0.957507 0.709405 Si\n0.325046 0.549217 0.394595 H\n0.174954 0.049217 0.105405 H\n0.823791 0.448693 0.103438 H\n0.676209 0.948693 0.396562 H\n0.676209 0.448693 0.603438 H\n0.823791 0.948693 0.896562 H\n0.174954 0.549217 0.894595 H\n0.325046 0.049217 0.605405 H\n0.640516 0.558153 0.395446 H\n0.859484 0.058153 0.104554 H\n0.140706 0.438958 0.103070 H\n0.359294 0.938958 0.396930 H\n0.359294 0.438958 0.603070 H\n0.140706 0.938958 0.896930 H\n0.859484 0.558153 0.895446 H\n0.640516 0.058153 0.604554 H\n0.002272 0.832554 0.451658 H\n0.497728 0.332554 0.048342 H\n0.498196 0.138099 0.023347 H\n0.001804 0.638099 0.476653 H\n0.001804 0.138099 0.523347 H\n0.498196 0.638099 0.976653 H\n0.497728 0.832554 0.951658 H\n0.002272 0.332554 0.548342 H\n0.997643 0.729779 0.352474 H\n0.502357 0.229779 0.147526 H\n0.502357 0.729779 0.852474 H\n0.997643 0.229779 0.647526 H\n0.001210 0.762300 0.492708 O\n0.498790 0.262300 0.007292 O\n0.001210 0.262300 0.507292 O\n0.498790 0.762300 0.992708 O\n0.515536 0.467519 0.575531 O\n0.984464 0.967519 0.924469 O\n0.016274 0.531045 0.922912 O\n0.483726 0.031045 0.577088 O\n0.483726 0.531045 0.422912 O\n0.016274 0.031045 0.077088 O\n0.984464 0.467519 0.075531 O\n0.515536 0.967519 0.424469 O\n0.001041 0.251027 0.315039 O\n0.498959 0.751027 0.184961 O\n0.001041 0.751027 0.684961 O\n0.498959 0.251027 0.815039 O\n0.150521 0.512624 0.230300 O\n0.349479 0.012624 0.269700 O\n0.648610 0.480269 0.264613 O\n0.851390 0.980269 0.235387 O\n0.851390 0.480269 0.764613 O\n0.648610 0.980269 0.735387 O\n0.349479 0.512624 0.730300 O\n0.150521 0.012624 0.769700 O\n0.999191 0.583966 0.355633 O\n0.500809 0.083966 0.144367 O\n0.501182 0.415989 0.138418 O\n0.998818 0.915989 0.361582 O\n0.998818 0.415989 0.638418 O\n0.501182 0.915989 0.861582 O\n0.500809 0.583966 0.855633 O\n0.999191 0.083966 0.644367 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Na",
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "H-Na-O-Si",
            "density": 1.8754334493089284,
            "density_atomic": 0.0949034898786138,
            "volume": 758.6654620614217,
            "volume_molar": 6.3455419476171135,
            "formula_full": "Na4 Si8 H28 O32",
            "formula_reduced": "NaSi2H7O8",
            "formula_anonymous": "AB2C7D8",
            "energy": -445.62849074,
            "energy_per_atom": -6.189284593611111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -423.64449074,
            "band_gap": 4.9156,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003845,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:58.821000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-1204337",
            "created_at": "2022-09-04T14:45:20.166172Z",
            "structure_string": "Ca8 H96 Cl16 O112\n1.0\n11.155755 0.000000 0.000000\n0.000000 8.085034 0.000000\n0.000000 0.000000 27.262133\nCa H Cl O\n8 96 16 112\ndirect\n0.378006 0.970920 0.792288 Ca\n0.621994 0.029080 0.292288 Ca\n0.121994 0.970920 0.292288 Ca\n0.878006 0.029080 0.792288 Ca\n0.378092 0.522596 0.574972 Ca\n0.621908 0.477404 0.074972 Ca\n0.121908 0.522596 0.074972 Ca\n0.878092 0.477404 0.574972 Ca\n0.221904 0.681508 0.768720 H\n0.778096 0.318492 0.268720 H\n0.278096 0.681508 0.268720 H\n0.721904 0.318492 0.768720 H\n0.140702 0.782435 0.806449 H\n0.859298 0.217565 0.306449 H\n0.359298 0.782435 0.306449 H\n0.640702 0.217565 0.806449 H\n0.166805 0.203939 0.800866 H\n0.833195 0.796061 0.300866 H\n0.333195 0.203939 0.300866 H\n0.666805 0.796061 0.800866 H\n0.260484 0.293509 0.765659 H\n0.739516 0.706491 0.265659 H\n0.239516 0.293509 0.265659 H\n0.760484 0.706491 0.765659 H\n0.485378 0.424324 0.473084 H\n0.514622 0.575676 0.973084 H\n0.014622 0.424324 0.973084 H\n0.985378 0.575676 0.473084 H\n0.477009 0.617172 0.471642 H\n0.522991 0.382828 0.971642 H\n0.022991 0.617172 0.971642 H\n0.977009 0.382828 0.471642 H\n0.606203 0.732936 0.560460 H\n0.393797 0.267064 0.060460 H\n0.893797 0.732936 0.060460 H\n0.106203 0.267064 0.560460 H\n0.520416 0.825676 0.598341 H\n0.479584 0.174324 0.098341 H\n0.979584 0.825676 0.098341 H\n0.020416 0.174324 0.598341 H\n0.263565 0.435695 0.669452 H\n0.736435 0.564305 0.169452 H\n0.236435 0.435695 0.169452 H\n0.763565 0.564305 0.669452 H\n0.174883 0.361133 0.629865 H\n0.825117 0.638867 0.129865 H\n0.325117 0.361133 0.129865 H\n0.674883 0.638867 0.629865 H\n0.485849 0.061117 0.696780 H\n0.514151 0.938883 0.196780 H\n0.014151 0.061117 0.196780 H\n0.985849 0.938883 0.696780 H\n0.581073 0.122588 0.735599 H\n0.418927 0.877412 0.235599 H\n0.918927 0.122588 0.235599 H\n0.081073 0.877412 0.735599 H\n0.517506 0.172280 0.873386 H\n0.482494 0.827720 0.373386 H\n0.982494 0.172280 0.373386 H\n0.017506 0.827720 0.873386 H\n0.462054 0.296004 0.835879 H\n0.537946 0.703996 0.335879 H\n0.037946 0.296004 0.335879 H\n0.962054 0.703996 0.835879 H\n0.285397 0.080521 0.895047 H\n0.714603 0.919479 0.395047 H\n0.214603 0.080521 0.395047 H\n0.785397 0.919479 0.895047 H\n0.287137 0.887118 0.898065 H\n0.712863 0.112882 0.398065 H\n0.212863 0.887118 0.398065 H\n0.787137 0.112882 0.898065 H\n0.535687 0.818669 0.872611 H\n0.464313 0.181331 0.372611 H\n0.964313 0.818669 0.372611 H\n0.035687 0.181331 0.872611 H\n0.507011 0.678402 0.835041 H\n0.492989 0.321598 0.335041 H\n0.992989 0.678402 0.335041 H\n0.007011 0.321598 0.835041 H\n0.218369 0.668908 0.495161 H\n0.781631 0.331092 0.995161 H\n0.281631 0.668908 0.995161 H\n0.718369 0.331092 0.495161 H\n0.259583 0.813659 0.528712 H\n0.740417 0.186341 0.028712 H\n0.240417 0.813659 0.028712 H\n0.759583 0.186341 0.528712 H\n0.236157 0.330740 0.493536 H\n0.763843 0.669260 0.993536 H\n0.263843 0.330740 0.993536 H\n0.736157 0.669260 0.493536 H\n0.294705 0.203868 0.528932 H\n0.705295 0.796132 0.028932 H\n0.205295 0.203868 0.028932 H\n0.794705 0.796132 0.528932 H\n0.585863 0.280194 0.568093 H\n0.414137 0.719806 0.068093 H\n0.914137 0.280194 0.068093 H\n0.085863 0.719806 0.568093 H\n0.484113 0.190411 0.599067 H\n0.515887 0.809589 0.099067 H\n0.015887 0.190411 0.099067 H\n0.984113 0.809589 0.599067 H\n0.278737 0.497986 0.897385 Cl\n0.721263 0.502014 0.397385 Cl\n0.221263 0.497986 0.397385 Cl\n0.778737 0.502014 0.897385 Cl\n0.300584 0.932560 0.638135 Cl\n0.699416 0.067440 0.138135 Cl\n0.199416 0.932560 0.138135 Cl\n0.800584 0.067440 0.638135 Cl\n0.449086 0.564106 0.729792 Cl\n0.550914 0.435894 0.229792 Cl\n0.050914 0.564106 0.229792 Cl\n0.949086 0.435894 0.729792 Cl\n0.528174 0.000461 0.970620 Cl\n0.471826 0.999539 0.470620 Cl\n0.971826 0.000461 0.470620 Cl\n0.028174 0.999539 0.970620 Cl\n0.208910 0.791077 0.783149 O\n0.791090 0.208923 0.283149 O\n0.291090 0.791077 0.283149 O\n0.708910 0.208923 0.783149 O\n0.243503 0.190859 0.783281 O\n0.756497 0.809141 0.283281 O\n0.256497 0.190859 0.283281 O\n0.743503 0.809141 0.783281 O\n0.475147 0.521760 0.493778 O\n0.524853 0.478240 0.993778 O\n0.024853 0.521760 0.993778 O\n0.975147 0.478240 0.493778 O\n0.540225 0.717164 0.584270 O\n0.459775 0.282836 0.084270 O\n0.959775 0.717164 0.084270 O\n0.040225 0.282836 0.584270 O\n0.258061 0.395585 0.635575 O\n0.741939 0.604415 0.135575 O\n0.241939 0.395585 0.135575 O\n0.758061 0.604415 0.635575 O\n0.495823 0.097319 0.730886 O\n0.504177 0.902681 0.230886 O\n0.004177 0.097319 0.230886 O\n0.995823 0.902681 0.730886 O\n0.501317 0.187436 0.838089 O\n0.498683 0.812564 0.338089 O\n0.998683 0.187436 0.338089 O\n0.001317 0.812564 0.838089 O\n0.289728 0.980237 0.875162 O\n0.710272 0.019763 0.375162 O\n0.210272 0.980237 0.375162 O\n0.789728 0.019763 0.875162 O\n0.426685 0.993155 0.633160 O\n0.573315 0.006845 0.133160 O\n0.073315 0.993155 0.133160 O\n0.926685 0.006845 0.633160 O\n0.227270 0.004853 0.599806 O\n0.772730 0.995147 0.099806 O\n0.272730 0.004853 0.099806 O\n0.727270 0.995147 0.599806 O\n0.323581 0.502694 0.733514 O\n0.676419 0.497306 0.233514 O\n0.176419 0.502694 0.233514 O\n0.823581 0.497306 0.733514 O\n0.520995 0.492352 0.768884 O\n0.479005 0.507648 0.268884 O\n0.979005 0.492352 0.268884 O\n0.020995 0.507648 0.768884 O\n0.358252 0.495103 0.854853 O\n0.641748 0.504897 0.354853 O\n0.141748 0.495103 0.354853 O\n0.858252 0.504897 0.854853 O\n0.523947 0.797224 0.837327 O\n0.476053 0.202776 0.337327 O\n0.976053 0.797224 0.337327 O\n0.023947 0.202776 0.837327 O\n0.256206 0.976635 0.686218 O\n0.743794 0.023365 0.186218 O\n0.243794 0.976635 0.186218 O\n0.756206 0.023365 0.686218 O\n0.610848 0.999787 0.012362 O\n0.389152 0.000213 0.512362 O\n0.889152 0.999787 0.512362 O\n0.110848 0.000213 0.012362 O\n0.297781 0.346146 0.926253 O\n0.702219 0.653854 0.426253 O\n0.202219 0.346146 0.426253 O\n0.797781 0.653854 0.926253 O\n0.310385 0.642225 0.928148 O\n0.689615 0.357775 0.428148 O\n0.189615 0.642225 0.428148 O\n0.810385 0.357775 0.928148 O\n0.552541 0.148875 0.940659 O\n0.447459 0.851125 0.440659 O\n0.947459 0.148875 0.440659 O\n0.052541 0.851125 0.940659 O\n0.550050 0.852038 0.940821 O\n0.449950 0.147962 0.440821 O\n0.949950 0.852038 0.440821 O\n0.050050 0.147962 0.940821 O\n0.497391 0.521539 0.682239 O\n0.502609 0.478461 0.182239 O\n0.002609 0.521539 0.182239 O\n0.997391 0.478461 0.682239 O\n0.302100 0.752297 0.632585 O\n0.697900 0.247703 0.132585 O\n0.197900 0.752297 0.132585 O\n0.802100 0.247703 0.632585 O\n0.447275 0.744418 0.735582 O\n0.552725 0.255582 0.235582 O\n0.052725 0.744418 0.235582 O\n0.947275 0.255582 0.735582 O\n0.235212 0.697037 0.529687 O\n0.764788 0.302963 0.029687 O\n0.264788 0.697037 0.029687 O\n0.735212 0.302963 0.529687 O\n0.405217 0.003251 0.987605 O\n0.594783 0.996749 0.487605 O\n0.094783 0.003251 0.487605 O\n0.905217 0.996749 0.987605 O\n0.154924 0.509953 0.882070 O\n0.845076 0.490047 0.382070 O\n0.345076 0.509953 0.382070 O\n0.654924 0.490047 0.882070 O\n0.253319 0.311344 0.528539 O\n0.746681 0.688656 0.028539 O\n0.246681 0.311344 0.028539 O\n0.753319 0.688656 0.528539 O\n0.506150 0.294292 0.582870 O\n0.493850 0.705708 0.082870 O\n0.993850 0.294292 0.082870 O\n0.006150 0.705708 0.582870 O\n",
            "nsites": 232,
            "nelements": 4,
            "elements": [
                "Ca",
                "H",
                "Cl",
                "O"
            ],
            "chemical_system": "Ca-Cl-H-O",
            "density": 1.8750662237954776,
            "density_atomic": 0.09435117962062617,
            "volume": 2458.8987751169816,
            "volume_molar": 6.382687301011229,
            "formula_full": "Ca8 H96 Cl16 O112",
            "formula_reduced": "CaH12(ClO7)2",
            "formula_anonymous": "AB2C12D14",
            "energy": -1202.76440598,
            "energy_per_atom": -5.1843293361206895,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1125.82040598,
            "band_gap": 5.1326,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0541094,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:04.017000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-30134",
            "created_at": "2022-09-04T14:47:15.125233Z",
            "structure_string": "Li8 Al3 Si5\n1.0\n6.259265 0.000000 0.000000\n0.000000 6.259265 0.000000\n0.000000 0.000000 6.259265\nLi Al Si\n8 3 5\ndirect\n0.253593 0.746407 0.253593 Li\n0.746407 0.253593 0.253593 Li\n0.253593 0.253593 0.746407 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.746407 0.746407 0.746407 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.247084 0.247084 0.247084 Si\n0.500000 0.500000 0.500000 Si\n0.752916 0.247084 0.752916 Si\n0.752916 0.752916 0.247084 Si\n0.247084 0.752916 0.752916 Si\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Li",
                "Al",
                "Si"
            ],
            "chemical_system": "Al-Li-Si",
            "density": 1.875004086172368,
            "density_atomic": 0.06524541026664192,
            "volume": 245.22797748702845,
            "volume_molar": 9.229983741981227,
            "formula_full": "Li8 Al3 Si5",
            "formula_reduced": "Li8Al3Si5",
            "formula_anonymous": "A3B5C8",
            "energy": -53.77081409,
            "energy_per_atom": -3.360675880625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -54.12581409,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0504417,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:04.297000Z",
            "spacegroup": 215
        },
        {
            "id": "mp-554267",
            "created_at": "2022-09-04T14:41:19.465298Z",
            "structure_string": "Si16 O32\n1.0\n-3.928388 3.928388 13.792584\n3.928388 -3.928388 13.792584\n3.928388 3.928388 -13.792584\nSi O\n16 32\ndirect\n0.885345 0.181870 0.703475 Si\n0.818130 0.114655 0.296525 Si\n0.931870 0.135345 0.203475 Si\n0.271605 0.068130 0.203475 Si\n0.692416 0.692416 0.384832 Si\n0.442416 0.557584 0.500000 Si\n0.818130 0.521605 0.703475 Si\n0.307584 0.307584 0.615168 Si\n0.307584 0.692416 0.000000 Si\n0.864655 0.068130 0.796525 Si\n0.057584 0.557584 0.115168 Si\n0.692416 0.307584 0.000000 Si\n0.478395 0.181870 0.296525 Si\n0.057584 0.942416 0.500000 Si\n0.442416 0.942416 0.884832 Si\n0.931870 0.728395 0.796525 Si\n0.964930 0.013160 0.390975 O\n0.622185 0.573955 0.609025 O\n0.785070 0.676045 0.548230 O\n0.271717 0.987008 0.715290 O\n0.478283 0.693573 0.215290 O\n0.127815 0.676045 0.890975 O\n0.810555 0.310555 0.500000 O\n0.763160 0.214930 0.890975 O\n0.060555 0.060555 0.000000 O\n0.689445 0.189445 0.500000 O\n0.763160 0.872185 0.548230 O\n0.785070 0.236840 0.109025 O\n0.964930 0.573955 0.951770 O\n0.271717 0.556427 0.284710 O\n0.986840 0.035070 0.609025 O\n0.443573 0.728283 0.715290 O\n0.012992 0.728283 0.284710 O\n0.426045 0.035070 0.048230 O\n0.323955 0.872185 0.109025 O\n0.306427 0.521717 0.784710 O\n0.875000 0.125000 0.250000 O\n0.478283 0.262992 0.784710 O\n0.127815 0.236840 0.451770 O\n0.622185 0.013160 0.048230 O\n0.737008 0.521717 0.215290 O\n0.939445 0.939445 0.000000 O\n0.323955 0.214930 0.451770 O\n0.875000 0.125000 0.750000 O\n0.426045 0.377815 0.390975 O\n0.875000 0.625000 0.750000 O\n0.375000 0.125000 0.250000 O\n0.986840 0.377815 0.951770 O\n",
            "nsites": 48,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.8749759678102724,
            "density_atomic": 0.05637763544056972,
            "volume": 851.401440037318,
            "volume_molar": 10.681790239940476,
            "formula_full": "Si16 O32",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -401.17740953,
            "energy_per_atom": -8.357862698541666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -379.19340953,
            "band_gap": 5.6122000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:16.956000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-675625",
            "created_at": "2022-09-04T14:47:12.026161Z",
            "structure_string": "K2 N2 O6\n1.0\n4.625934 0.000000 0.000000\n0.016071 5.572920 0.000000\n2.060582 0.005774 6.946800\nK N O\n2 2 6\ndirect\n0.022618 0.002034 0.981783 K\n0.533301 0.497964 0.490119 K\n0.632370 0.499187 0.933992 N\n0.041279 0.000883 0.479148 N\n0.157511 0.891356 0.593175 O\n0.771383 0.498749 0.062935 O\n0.925292 0.883651 0.367741 O\n0.566267 0.696139 0.868685 O\n0.566082 0.301681 0.869364 O\n0.041898 0.228358 0.474059 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "K",
                "N",
                "O"
            ],
            "chemical_system": "K-N-O",
            "density": 1.8748950312305237,
            "density_atomic": 0.0558383997351058,
            "volume": 179.0882268732527,
            "volume_molar": 10.784945106895426,
            "formula_full": "K2 N2 O6",
            "formula_reduced": "KNO3",
            "formula_anonymous": "ABC3",
            "energy": -62.73080306,
            "energy_per_atom": -6.273080306,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.60880306,
            "band_gap": 3.0984,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0014717,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:55.628000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-570248",
            "created_at": "2022-09-04T14:43:16.047385Z",
            "structure_string": "Na12 C24 N36\n1.0\n23.435638 0.000000 0.000000\n0.000000 3.641535 0.000000\n0.000000 1.862256 11.088684\nNa C N\n12 24 36\ndirect\n0.386848 0.768345 0.925193 Na\n0.258943 0.196193 0.509574 Na\n0.490853 0.412466 0.351100 Na\n0.509147 0.587534 0.648900 Na\n0.241057 0.196193 0.009574 Na\n0.009147 0.412466 0.851100 Na\n0.613152 0.231655 0.074807 Na\n0.886848 0.231655 0.574807 Na\n0.758943 0.803807 0.990426 Na\n0.990853 0.587534 0.148900 Na\n0.113152 0.768345 0.425193 Na\n0.741057 0.803807 0.490426 Na\n0.971522 0.800885 0.377696 C\n0.294998 0.724681 0.225072 C\n0.117154 0.976414 0.676386 C\n0.646677 0.126989 0.626533 C\n0.406113 0.041920 0.527127 C\n0.794998 0.275319 0.274928 C\n0.707819 0.548294 0.233511 C\n0.146677 0.873011 0.873467 C\n0.906113 0.958080 0.972873 C\n0.705002 0.275319 0.774928 C\n0.471522 0.199115 0.122304 C\n0.853323 0.126989 0.126533 C\n0.093887 0.041920 0.027127 C\n0.593887 0.958080 0.472873 C\n0.353323 0.873011 0.373467 C\n0.205002 0.724681 0.725072 C\n0.882846 0.023586 0.323614 C\n0.617154 0.023586 0.823614 C\n0.528478 0.800885 0.877696 C\n0.207819 0.451706 0.266489 C\n0.382846 0.976414 0.176386 C\n0.792181 0.548294 0.733511 C\n0.028478 0.199115 0.622304 C\n0.292181 0.451706 0.766489 C\n0.332504 0.856779 0.137175 N\n0.896232 0.023076 0.205940 N\n0.672145 0.681562 0.164721 N\n0.667496 0.143221 0.862825 N\n0.051800 0.155332 0.067455 N\n0.858728 0.084546 0.008875 N\n0.603768 0.023076 0.705940 N\n0.802512 0.267820 0.155732 N\n0.078636 0.103640 0.588383 N\n0.396232 0.976924 0.294060 N\n0.448200 0.155332 0.567455 N\n0.754595 0.416463 0.814266 N\n0.517776 0.291539 0.147766 N\n0.482224 0.708461 0.852234 N\n0.832504 0.143221 0.362825 N\n0.302512 0.732180 0.344268 N\n0.827855 0.681562 0.664721 N\n0.245405 0.583537 0.185734 N\n0.103768 0.976924 0.794060 N\n0.578636 0.896360 0.911617 N\n0.948200 0.844668 0.932545 N\n0.982224 0.291539 0.647766 N\n0.641272 0.084546 0.508875 N\n0.327855 0.318438 0.835279 N\n0.358728 0.915454 0.491125 N\n0.421364 0.103640 0.088383 N\n0.172145 0.318438 0.335279 N\n0.697488 0.267820 0.655732 N\n0.017776 0.708461 0.352234 N\n0.167496 0.856779 0.637175 N\n0.254595 0.583537 0.685734 N\n0.745405 0.416463 0.314266 N\n0.197488 0.732180 0.844268 N\n0.921364 0.896360 0.411617 N\n0.141272 0.915454 0.991125 N\n0.551800 0.844668 0.432545 N\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Na",
                "C",
                "N"
            ],
            "chemical_system": "C-N-Na",
            "density": 1.874699362292269,
            "density_atomic": 0.07608362907285124,
            "volume": 946.3270992378518,
            "volume_molar": 7.915159717517825,
            "formula_full": "Na12 C24 N36",
            "formula_reduced": "NaC2N3",
            "formula_anonymous": "AB2C3",
            "energy": -561.76967217,
            "energy_per_atom": -7.802356557916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -548.77367217,
            "band_gap": 3.4321,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016013,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:01.691000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1181403",
            "created_at": "2022-09-04T14:44:09.814759Z",
            "structure_string": "Fe4 N8 Cl20 O4\n1.0\n14.409154 0.000000 0.000000\n0.000000 8.018674 0.000000\n0.000000 0.000000 8.498165\nFe N Cl O\n4 8 20 4\ndirect\n0.595521 0.250000 0.029546 Fe\n0.095521 0.250000 0.470454 Fe\n0.404479 0.750000 0.970454 Fe\n0.904479 0.750000 0.529546 Fe\n0.878456 0.074126 0.132611 N\n0.378456 0.425874 0.367389 N\n0.121544 0.574126 0.867389 N\n0.621544 0.925874 0.632611 N\n0.121544 0.925874 0.867389 N\n0.621544 0.574126 0.632611 N\n0.878456 0.425874 0.132611 N\n0.378456 0.074126 0.367389 N\n0.401524 0.250000 0.410497 Cl\n0.901524 0.250000 0.089503 Cl\n0.598476 0.750000 0.589503 Cl\n0.098476 0.750000 0.910497 Cl\n0.655038 0.250000 0.274805 Cl\n0.155038 0.250000 0.225195 Cl\n0.344962 0.750000 0.725195 Cl\n0.844962 0.750000 0.774805 Cl\n0.692023 0.250000 0.834244 Cl\n0.192023 0.250000 0.665756 Cl\n0.307977 0.750000 0.165756 Cl\n0.807977 0.750000 0.334244 Cl\n0.584969 0.958906 0.124651 Cl\n0.084969 0.541094 0.375349 Cl\n0.415031 0.458906 0.875349 Cl\n0.915031 0.041094 0.624651 Cl\n0.415031 0.041094 0.875349 Cl\n0.915031 0.458906 0.624651 Cl\n0.584969 0.541094 0.124651 Cl\n0.084969 0.958906 0.375349 Cl\n0.462582 0.250000 0.965483 O\n0.962582 0.250000 0.534517 O\n0.537418 0.750000 0.034517 O\n0.037418 0.750000 0.465483 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Fe",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Fe-N-O",
            "density": 1.8746282076192915,
            "density_atomic": 0.03666370088843679,
            "volume": 981.8976024690919,
            "volume_molar": 16.42534881659832,
            "formula_full": "Fe4 N8 Cl20 O4",
            "formula_reduced": "FeN2Cl5O",
            "formula_anonymous": "ABC2D5",
            "energy": -147.7441821,
            "energy_per_atom": -4.104005058333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.6921821,
            "band_gap": 0.2542000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.0043154,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:32.167000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1200476",
            "created_at": "2022-09-04T14:46:01.538932Z",
            "structure_string": "Ag2 H28 C6 S6 N12 Cl2 O2\n1.0\n6.263995 0.000000 0.000000\n-2.099613 9.911528 0.000000\n-0.371404 -2.191343 11.121255\nAg H C S N Cl O\n2 28 6 6 12 2 2\ndirect\n0.372493 0.464932 0.613918 Ag\n0.627507 0.535068 0.386082 Ag\n0.822771 0.164015 0.570464 H\n0.177229 0.835985 0.429536 H\n0.680267 0.291646 0.625003 H\n0.319733 0.708354 0.374997 H\n0.728853 0.037194 0.368419 H\n0.271147 0.962806 0.631581 H\n0.505739 0.068395 0.287818 H\n0.494261 0.931605 0.712182 H\n0.981044 0.267674 0.876444 H\n0.018956 0.732326 0.123556 H\n0.088133 0.414730 0.819280 H\n0.911867 0.585270 0.180720 H\n0.200818 0.126208 0.918279 H\n0.799182 0.873792 0.081721 H\n0.475898 0.154912 0.884350 H\n0.524102 0.845088 0.115650 H\n0.018831 0.845998 0.902226 H\n0.981169 0.154002 0.097774 H\n0.843212 0.765043 0.774297 H\n0.156788 0.234957 0.225703 H\n0.337516 0.775899 0.935435 H\n0.662484 0.224101 0.064565 H\n0.395423 0.630944 0.841950 H\n0.604577 0.369056 0.158050 H\n0.943142 0.041996 0.712949 H\n0.056858 0.958004 0.287051 H\n0.892122 0.938398 0.592453 H\n0.107878 0.061602 0.407547 H\n0.580798 0.190210 0.453880 C\n0.419202 0.809790 0.546120 C\n0.311957 0.304730 0.855686 C\n0.688043 0.695270 0.144314 C\n0.111458 0.683843 0.793589 C\n0.888542 0.316157 0.206411 C\n0.375614 0.277574 0.433326 S\n0.624386 0.722426 0.566674 S\n0.536456 0.408763 0.810887 S\n0.463544 0.591237 0.189113 S\n0.034457 0.556765 0.668200 S\n0.965543 0.443235 0.331800 S\n0.711585 0.221568 0.554525 N\n0.288415 0.778432 0.445475 N\n0.603759 0.088327 0.365334 N\n0.396241 0.911673 0.634666 N\n0.115572 0.337405 0.860261 N\n0.884428 0.662595 0.139739 N\n0.332869 0.188598 0.892033 N\n0.667131 0.811402 0.107967 N\n0.977273 0.768384 0.828888 N\n0.022727 0.231616 0.171112 N\n0.301445 0.702587 0.858875 N\n0.698555 0.297413 0.141125 N\n0.228758 0.946700 0.104918 Cl\n0.771242 0.053300 0.895082 Cl\n0.985742 0.028424 0.629266 O\n0.014258 0.971576 0.370734 O\n",
            "nsites": 58,
            "nelements": 7,
            "elements": [
                "Ag",
                "H",
                "C",
                "S",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Ag-C-Cl-H-N-O-S",
            "density": 1.8744015639215665,
            "density_atomic": 0.08400055976922796,
            "volume": 690.4715892291854,
            "volume_molar": 7.169167415722507,
            "formula_full": "Ag2 H28 C6 S6 N12 Cl2 O2",
            "formula_reduced": "AgH14C3S3N6ClO",
            "formula_anonymous": "ABCD3E3F6G14",
            "energy": -324.38295566,
            "energy_per_atom": -5.592809580344827,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -314.43095566,
            "band_gap": 3.0284000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1e-07,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:11.524000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-24100",
            "created_at": "2022-09-04T14:42:54.483821Z",
            "structure_string": "K1 Cr1 H18 N6 Cl4 O8\n1.0\n9.501307 -3.573504 0.000000\n9.501307 3.573504 0.000000\n8.157288 0.000000 6.041806\nK Cr H N Cl O\n1 1 18 6 4 8\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.760597 0.366421 0.042402 H\n0.239403 0.633579 0.957598 H\n0.957598 0.239403 0.633579 H\n0.633579 0.957598 0.239403 H\n0.005671 0.362730 0.841709 H\n0.841709 0.005671 0.362730 H\n0.362730 0.841709 0.005671 H\n0.994329 0.637270 0.158291 H\n0.158291 0.994329 0.637270 H\n0.637270 0.158291 0.994329 H\n0.827140 0.435161 0.797219 H\n0.366421 0.042402 0.760597 H\n0.435161 0.797219 0.827140 H\n0.172860 0.564839 0.202781 H\n0.202781 0.172860 0.564839 H\n0.564839 0.202781 0.172860 H\n0.042402 0.760597 0.366421 H\n0.797219 0.827140 0.435161 H\n0.326250 0.910191 0.889243 N\n0.089809 0.110757 0.673750 N\n0.910191 0.889243 0.326250 N\n0.889243 0.326250 0.910191 N\n0.110757 0.673750 0.089809 N\n0.673750 0.089809 0.110757 N\n0.814987 0.814987 0.814987 Cl\n0.185013 0.185013 0.185013 Cl\n0.377436 0.377436 0.377436 Cl\n0.622564 0.622564 0.622564 Cl\n0.867313 0.867313 0.867313 O\n0.980807 0.327767 0.300395 O\n0.132687 0.132687 0.132687 O\n0.327767 0.300395 0.980807 O\n0.300395 0.980807 0.327767 O\n0.019193 0.672233 0.699605 O\n0.672233 0.699605 0.019193 O\n0.699605 0.019193 0.672233 O\n",
            "nsites": 38,
            "nelements": 6,
            "elements": [
                "K",
                "Cr",
                "H",
                "N",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Cr-H-K-N-O",
            "density": 1.8742829449588223,
            "density_atomic": 0.09262094362676855,
            "volume": 410.2743776086681,
            "volume_molar": 6.501921189949452,
            "formula_full": "K1 Cr1 H18 N6 Cl4 O8",
            "formula_reduced": "KCrH18N6(ClO2)4",
            "formula_anonymous": "ABC4D6E8F18",
            "energy": -198.10245273,
            "energy_per_atom": -5.213222440263158,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -185.98545273,
            "band_gap": 3.7615,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.0052352,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:56.393000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-605018",
            "created_at": "2022-09-04T14:41:04.621816Z",
            "structure_string": "Na4 Ag4 H64 C16 S16 N8 O40\n1.0\n11.252262 0.000000 0.000000\n0.000000 11.323609 0.000000\n0.000000 0.000000 14.221472\nNa Ag H C S N O\n4 4 64 16 16 8 40\ndirect\n0.276149 0.750000 0.000000 Na\n0.723851 0.250000 0.000000 Na\n0.776149 0.250000 0.500000 Na\n0.223851 0.750000 0.500000 Na\n0.750000 0.235396 0.750000 Ag\n0.750000 0.264604 0.250000 Ag\n0.250000 0.735396 0.750000 Ag\n0.250000 0.764604 0.250000 Ag\n0.792999 0.445634 0.636937 H\n0.949442 0.876954 0.701817 H\n0.342253 0.908489 0.623910 H\n0.792999 0.054366 0.363063 H\n0.925914 0.740621 0.112454 H\n0.425914 0.259379 0.612454 H\n0.663017 0.647123 0.669332 H\n0.707001 0.445634 0.863063 H\n0.663017 0.852877 0.330668 H\n0.036052 0.396037 0.576108 H\n0.292999 0.554366 0.136937 H\n0.371085 0.134538 0.545593 H\n0.550558 0.876954 0.798183 H\n0.207001 0.945634 0.636937 H\n0.207001 0.554366 0.363063 H\n0.827429 0.937116 0.634211 H\n0.842253 0.091511 0.123910 H\n0.836983 0.647123 0.830668 H\n0.672571 0.562884 0.134211 H\n0.157747 0.908489 0.876090 H\n0.925914 0.759379 0.887546 H\n0.657747 0.091511 0.376090 H\n0.707001 0.054366 0.136937 H\n0.425914 0.240621 0.387546 H\n0.463948 0.396037 0.923892 H\n0.163017 0.147123 0.830668 H\n0.463948 0.103963 0.076108 H\n0.128915 0.134538 0.954407 H\n0.371085 0.365462 0.454407 H\n0.157747 0.591511 0.123910 H\n0.842253 0.408489 0.876090 H\n0.172571 0.062884 0.365789 H\n0.163017 0.352877 0.169332 H\n0.836983 0.852877 0.169332 H\n0.963948 0.603963 0.423892 H\n0.536052 0.603963 0.076108 H\n0.336983 0.352877 0.330668 H\n0.342253 0.591511 0.376090 H\n0.449442 0.376954 0.798183 H\n0.292999 0.945634 0.863063 H\n0.550558 0.623046 0.201817 H\n0.050558 0.376954 0.701817 H\n0.963948 0.896037 0.576108 H\n0.574086 0.759379 0.612454 H\n0.036052 0.103963 0.423892 H\n0.871085 0.634538 0.954407 H\n0.327429 0.062884 0.134211 H\n0.050558 0.123046 0.298183 H\n0.536052 0.896037 0.923892 H\n0.074086 0.240621 0.112454 H\n0.449442 0.123046 0.201817 H\n0.827429 0.562884 0.365789 H\n0.574086 0.740621 0.387546 H\n0.128915 0.365462 0.045593 H\n0.336983 0.147123 0.669332 H\n0.327429 0.437116 0.865789 H\n0.628915 0.634538 0.545593 H\n0.949442 0.623046 0.298183 H\n0.074086 0.259379 0.887546 H\n0.672571 0.937116 0.865789 H\n0.657747 0.408489 0.623910 H\n0.871085 0.865462 0.045593 H\n0.628915 0.865462 0.454407 H\n0.172571 0.437116 0.634211 H\n0.097218 0.165286 0.885628 C\n0.924315 0.930857 0.641000 C\n0.575685 0.930857 0.859000 C\n0.424315 0.430857 0.859000 C\n0.902782 0.665286 0.885628 C\n0.902782 0.834714 0.114372 C\n0.597218 0.665286 0.614372 C\n0.597218 0.834714 0.385628 C\n0.402782 0.165286 0.614372 C\n0.575685 0.569143 0.141000 C\n0.924315 0.569143 0.359000 C\n0.075685 0.430857 0.641000 C\n0.424315 0.069143 0.141000 C\n0.097218 0.334714 0.114372 C\n0.075685 0.069143 0.359000 C\n0.402782 0.334714 0.385628 C\n0.466020 0.583904 0.641432 S\n0.980832 0.423627 0.341014 S\n0.533980 0.416096 0.358568 S\n0.966020 0.083904 0.858568 S\n0.533980 0.083904 0.641432 S\n0.033980 0.583904 0.858568 S\n0.966020 0.416096 0.141432 S\n0.519168 0.423627 0.158986 S\n0.519168 0.076373 0.841014 S\n0.480832 0.923627 0.158986 S\n0.466020 0.916096 0.358568 S\n0.480832 0.576373 0.841014 S\n0.019168 0.576373 0.658986 S\n0.980832 0.076373 0.658986 S\n0.019168 0.923627 0.341014 S\n0.033980 0.916096 0.141432 S\n0.077420 0.626931 0.755108 N\n0.922580 0.373069 0.244892 N\n0.577420 0.126931 0.744892 N\n0.422580 0.873069 0.255108 N\n0.577420 0.373069 0.255108 N\n0.422580 0.626931 0.744892 N\n0.922580 0.126931 0.755108 N\n0.077420 0.873069 0.244892 N\n0.260103 0.878280 0.623445 O\n0.063955 0.849545 0.417128 O\n0.239897 0.621720 0.123445 O\n0.436045 0.849545 0.082872 O\n0.260103 0.621720 0.376555 O\n0.889480 0.568036 0.666066 O\n0.760103 0.378280 0.876555 O\n0.626663 0.120343 0.576280 O\n0.873337 0.379657 0.076280 O\n0.502559 0.541984 0.360588 O\n0.110520 0.431964 0.333934 O\n0.497441 0.041984 0.360588 O\n0.373337 0.879657 0.423720 O\n0.563955 0.150455 0.917128 O\n0.110520 0.068036 0.666066 O\n0.610520 0.931964 0.166066 O\n0.936045 0.150455 0.582872 O\n0.889480 0.931964 0.333934 O\n0.126663 0.879657 0.076280 O\n0.873337 0.120343 0.923720 O\n0.739897 0.121720 0.376555 O\n0.502559 0.958016 0.639412 O\n0.436045 0.650455 0.917128 O\n0.002559 0.458016 0.860588 O\n0.997441 0.958016 0.860588 O\n0.760103 0.121720 0.123445 O\n0.389480 0.431964 0.166066 O\n0.239897 0.878280 0.876555 O\n0.497441 0.458016 0.639412 O\n0.373337 0.620343 0.576280 O\n0.063955 0.650455 0.582872 O\n0.389480 0.068036 0.833934 O\n0.936045 0.349545 0.417128 O\n0.997441 0.541984 0.139412 O\n0.739897 0.378280 0.623445 O\n0.626663 0.379657 0.423720 O\n0.610520 0.568036 0.833934 O\n0.563955 0.349545 0.082872 O\n0.002559 0.041984 0.139412 O\n0.126663 0.620343 0.923720 O\n",
            "nsites": 152,
            "nelements": 7,
            "elements": [
                "Na",
                "Ag",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "Ag-C-H-N-Na-O-S",
            "density": 1.8741811303134779,
            "density_atomic": 0.08388307386227083,
            "volume": 1812.046137574448,
            "volume_molar": 7.179208489531349,
            "formula_full": "Na4 Ag4 H64 C16 S16 N8 O40",
            "formula_reduced": "NaAgH16C4S4(NO5)2",
            "formula_anonymous": "ABC2D4E4F10G16",
            "energy": -837.28416714,
            "energy_per_atom": -5.508448468026316,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -806.91616714,
            "band_gap": 3.9698,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0008828,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:58.542000Z",
            "spacegroup": 52
        },
        {
            "id": "mp-698277",
            "created_at": "2022-09-04T14:46:32.632189Z",
            "structure_string": "Co8 H80 C32 N32 O48\n1.0\n8.524992 8.597717 0.000000\n-8.524992 8.597717 0.000000\n0.000000 8.325003 13.011539\nCo H C N O\n8 80 32 32 48\ndirect\n0.251187 0.241194 0.996813 Co\n0.758806 0.748813 0.503187 Co\n0.748813 0.758806 0.003187 Co\n0.241194 0.251187 0.496813 Co\n0.748507 0.256814 0.002658 Co\n0.743186 0.251493 0.497342 Co\n0.251493 0.743186 0.997342 Co\n0.256814 0.748507 0.502658 Co\n0.543811 0.347227 0.669026 H\n0.652773 0.456189 0.830974 H\n0.456189 0.652773 0.330974 H\n0.347227 0.543811 0.169026 H\n0.503744 0.486047 0.607200 H\n0.513953 0.496256 0.892800 H\n0.496256 0.513953 0.392800 H\n0.486047 0.503744 0.107200 H\n0.240563 0.460210 0.821152 H\n0.539790 0.759437 0.678848 H\n0.759437 0.539790 0.178848 H\n0.460210 0.240563 0.321152 H\n0.330255 0.542188 0.688494 H\n0.457812 0.669745 0.811506 H\n0.669745 0.457812 0.311506 H\n0.542188 0.330255 0.188494 H\n0.970733 0.018040 0.326946 H\n0.981960 0.029267 0.173054 H\n0.029267 0.981960 0.673054 H\n0.018040 0.970733 0.826946 H\n0.003799 0.098464 0.389272 H\n0.901536 0.996201 0.110728 H\n0.996201 0.901536 0.610728 H\n0.098464 0.003799 0.889272 H\n0.172872 0.242236 0.306562 H\n0.757764 0.827128 0.193438 H\n0.827128 0.757764 0.693438 H\n0.242236 0.172872 0.806562 H\n0.252015 0.298871 0.172482 H\n0.701129 0.747985 0.327518 H\n0.747985 0.701129 0.827518 H\n0.298871 0.252015 0.672482 H\n0.583669 0.044468 0.399017 H\n0.955532 0.416331 0.100983 H\n0.416331 0.955532 0.600983 H\n0.044468 0.583669 0.899017 H\n0.706645 0.163931 0.333948 H\n0.836069 0.293355 0.166052 H\n0.293355 0.836069 0.666052 H\n0.163931 0.706645 0.833948 H\n0.493625 0.988085 0.315724 H\n0.011915 0.506375 0.184276 H\n0.506375 0.011915 0.684276 H\n0.988085 0.493625 0.815724 H\n0.556066 0.052839 0.179913 H\n0.947161 0.443934 0.320087 H\n0.443934 0.947161 0.820087 H\n0.052839 0.556066 0.679913 H\n0.930718 0.443547 0.607645 H\n0.556453 0.069282 0.892355 H\n0.069282 0.556453 0.392355 H\n0.443547 0.930718 0.107645 H\n0.805002 0.498300 0.672387 H\n0.501700 0.194998 0.827613 H\n0.194998 0.501700 0.327613 H\n0.498300 0.805002 0.172387 H\n0.937991 0.215988 0.829362 H\n0.784012 0.062009 0.670638 H\n0.062009 0.784012 0.170638 H\n0.215988 0.937991 0.329362 H\n0.010858 0.293641 0.694159 H\n0.706359 0.989142 0.805841 H\n0.989142 0.706359 0.305841 H\n0.293641 0.010858 0.194159 H\n0.284305 0.974730 0.041353 H\n0.025270 0.715695 0.458647 H\n0.715695 0.025270 0.958647 H\n0.974730 0.284305 0.541353 H\n0.505735 0.304487 0.975127 H\n0.695513 0.494265 0.524873 H\n0.494265 0.695513 0.024873 H\n0.304487 0.505735 0.475127 H\n0.992613 0.191579 0.014698 H\n0.808421 0.007387 0.485302 H\n0.007387 0.808421 0.985302 H\n0.191579 0.992613 0.514698 H\n0.175936 0.481110 0.038911 H\n0.518890 0.824064 0.461089 H\n0.824064 0.518890 0.961089 H\n0.481110 0.175936 0.538911 H\n0.391213 0.390942 0.760030 C\n0.609058 0.608787 0.739970 C\n0.608787 0.609058 0.239970 C\n0.390942 0.391213 0.260030 C\n0.114884 0.156601 0.235538 C\n0.843399 0.885116 0.264462 C\n0.885115 0.843399 0.764462 C\n0.156601 0.114884 0.735538 C\n0.216957 0.988886 0.007364 C\n0.011114 0.783043 0.492636 C\n0.783043 0.011114 0.992636 C\n0.988886 0.216957 0.507364 C\n0.489739 0.205905 0.020037 C\n0.794095 0.510261 0.479963 C\n0.510261 0.794095 0.979963 C\n0.205905 0.489739 0.520037 C\n0.647228 0.114755 0.242544 C\n0.885245 0.352772 0.257456 C\n0.352772 0.885245 0.757456 C\n0.114755 0.647228 0.742544 C\n0.855778 0.352144 0.765045 C\n0.647856 0.144222 0.734955 C\n0.144222 0.647856 0.234955 C\n0.352144 0.855778 0.265045 C\n0.013102 0.291154 0.976886 C\n0.708846 0.986898 0.523114 C\n0.986898 0.708846 0.023114 C\n0.291154 0.013102 0.476886 C\n0.276056 0.492197 0.004183 C\n0.507803 0.723944 0.495817 C\n0.723944 0.507803 0.995817 C\n0.492197 0.276056 0.504183 C\n0.483062 0.406557 0.670173 N\n0.593443 0.516938 0.829827 N\n0.516938 0.593443 0.329827 N\n0.406557 0.483062 0.170173 N\n0.318423 0.476162 0.757589 N\n0.523838 0.681577 0.742411 N\n0.681577 0.523838 0.242411 N\n0.476162 0.318423 0.257589 N\n0.029242 0.078882 0.326328 N\n0.921118 0.970758 0.173672 N\n0.970758 0.921118 0.673672 N\n0.078882 0.029242 0.826328 N\n0.188808 0.236465 0.238875 N\n0.763535 0.811192 0.261125 N\n0.811192 0.763535 0.761125 N\n0.236465 0.188808 0.738875 N\n0.646198 0.106785 0.332122 N\n0.893215 0.353802 0.167878 N\n0.353802 0.893215 0.667878 N\n0.106785 0.646198 0.832122 N\n0.564210 0.036862 0.246858 N\n0.963138 0.435790 0.253142 N\n0.435790 0.963138 0.753142 N\n0.036862 0.564210 0.746858 N\n0.864351 0.437301 0.674284 N\n0.562699 0.135649 0.825716 N\n0.135649 0.562699 0.325716 N\n0.437301 0.864351 0.174284 N\n0.940245 0.278777 0.761949 N\n0.721223 0.059755 0.738051 N\n0.059755 0.721223 0.238051 N\n0.278777 0.940245 0.261949 N\n0.375314 0.298201 0.841604 O\n0.701799 0.624686 0.658396 O\n0.624686 0.701799 0.158396 O\n0.298201 0.375314 0.341604 O\n0.126727 0.149724 0.152151 O\n0.850276 0.873273 0.347849 O\n0.873273 0.850276 0.847849 O\n0.149724 0.126727 0.652151 O\n0.189973 0.094048 0.975559 O\n0.905952 0.810027 0.524441 O\n0.810027 0.905952 0.024441 O\n0.094048 0.189973 0.475559 O\n0.387408 0.147535 0.044825 O\n0.852465 0.612592 0.455175 O\n0.612592 0.852465 0.955175 O\n0.147535 0.387408 0.544825 O\n0.117507 0.341536 0.956055 O\n0.658464 0.882493 0.543945 O\n0.882493 0.658464 0.043945 O\n0.341536 0.117507 0.456055 O\n0.324936 0.400611 0.998050 O\n0.599389 0.675064 0.501950 O\n0.675064 0.599389 0.001950 O\n0.400611 0.324936 0.498050 O\n0.770650 0.343538 0.848727 O\n0.656462 0.229350 0.651273 O\n0.229350 0.656462 0.151273 O\n0.343538 0.770650 0.348727 O\n0.725484 0.192951 0.157549 O\n0.807049 0.274516 0.342451 O\n0.274516 0.807049 0.842451 O\n0.192951 0.725484 0.657549 O\n0.931132 0.348367 0.956597 O\n0.651633 0.068868 0.543403 O\n0.068868 0.651633 0.043403 O\n0.348367 0.931132 0.456597 O\n0.335150 0.596119 0.972819 O\n0.403881 0.664850 0.527181 O\n0.664850 0.403881 0.027181 O\n0.596119 0.335150 0.472819 O\n0.171612 0.898906 0.001717 O\n0.101094 0.828388 0.498283 O\n0.828388 0.101094 0.998283 O\n0.898906 0.171612 0.501717 O\n0.573813 0.158172 0.043745 O\n0.841828 0.426187 0.456255 O\n0.426187 0.841828 0.956255 O\n0.158172 0.573813 0.543745 O\n",
            "nsites": 200,
            "nelements": 5,
            "elements": [
                "Co",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Co-H-N-O",
            "density": 1.874055491306057,
            "density_atomic": 0.10485622206957944,
            "volume": 1907.3736975502131,
            "volume_molar": 5.743236444284526,
            "formula_full": "Co8 H80 C32 N32 O48",
            "formula_reduced": "CoH10C4(N2O3)2",
            "formula_anonymous": "AB4C4D6E10",
            "energy": -1305.66119297,
            "energy_per_atom": -6.52830596485,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1248.02919297,
            "band_gap": 2.7053,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 23.99887,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:31.948000Z",
            "spacegroup": 15
        }
    ]
}