GET /third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=67
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=is_magnetic&page=68",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=66",
    "results": [
        {
            "id": "mp-1196760",
            "created_at": "2022-09-04T14:39:08.187869Z",
            "structure_string": "Sc10 Si20 Rh8\n1.0\n12.418332 0.000000 0.000000\n0.000000 12.418332 0.000000\n0.000000 0.000000 4.063617\nSc Si Rh\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.675195 0.175195 0.500000 Sc\n0.324805 0.824805 0.500000 Sc\n0.175195 0.324805 0.500000 Sc\n0.824805 0.675195 0.500000 Sc\n0.886600 0.386600 0.500000 Sc\n0.113400 0.613400 0.500000 Sc\n0.386600 0.113400 0.500000 Sc\n0.613400 0.886600 0.500000 Sc\n0.565896 0.065896 0.000000 Si\n0.434104 0.934104 0.000000 Si\n0.065896 0.434104 0.000000 Si\n0.934104 0.565896 0.000000 Si\n0.663594 0.701104 0.000000 Si\n0.336406 0.298896 0.000000 Si\n0.163594 0.798896 0.000000 Si\n0.836406 0.201104 0.000000 Si\n0.298896 0.663594 0.000000 Si\n0.701104 0.336406 0.000000 Si\n0.201104 0.163594 0.000000 Si\n0.798896 0.836406 0.000000 Si\n0.652891 0.502769 0.500000 Si\n0.347109 0.497231 0.500000 Si\n0.152891 0.997231 0.500000 Si\n0.847109 0.002769 0.500000 Si\n0.497231 0.652891 0.500000 Si\n0.502769 0.347109 0.500000 Si\n0.002769 0.152891 0.500000 Si\n0.997231 0.847109 0.500000 Si\n0.745987 0.520810 0.000000 Rh\n0.254013 0.479190 0.000000 Rh\n0.245987 0.979190 0.000000 Rh\n0.754013 0.020810 0.000000 Rh\n0.479190 0.745987 0.000000 Rh\n0.520810 0.254013 0.000000 Rh\n0.020810 0.245987 0.000000 Rh\n0.979190 0.754013 0.000000 Rh\n",
            "nsites": 38,
            "nelements": 3,
            "elements": [
                "Sc",
                "Si",
                "Rh"
            ],
            "chemical_system": "Rh-Sc-Si",
            "density": 4.861055933120658,
            "density_atomic": 0.06063791994580468,
            "volume": 626.6705723738976,
            "volume_molar": 9.931311571014156,
            "formula_full": "Sc10 Si20 Rh8",
            "formula_reduced": "Sc5(Si5Rh2)2",
            "formula_anonymous": "A4B5C10",
            "energy": -260.88777315,
            "energy_per_atom": -6.8654677144736835,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -262.30777315,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006919,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.624000Z",
            "spacegroup": 127
        },
        {
            "id": "mp-637918",
            "created_at": "2022-09-04T14:39:09.213152Z",
            "structure_string": "Cr6 Ge2 N2\n1.0\n5.330989 0.000000 0.000000\n0.000000 5.330989 0.000000\n0.000000 0.000000 4.010243\nCr Ge N\n6 2 2\ndirect\n0.208418 0.708418 0.922303 Cr\n0.791582 0.291582 0.922303 Cr\n0.500000 0.500000 0.500000 Cr\n0.291582 0.208418 0.077697 Cr\n0.708418 0.791582 0.077697 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.445545 Ge\n0.500000 0.000000 0.554455 Ge\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Cr",
                "Ge",
                "N"
            ],
            "chemical_system": "Cr-Ge-N",
            "density": 7.070437355734573,
            "density_atomic": 0.08774325428258546,
            "volume": 113.9688752344887,
            "volume_molar": 6.863366089209691,
            "formula_full": "Cr6 Ge2 N2",
            "formula_reduced": "Cr3GeN",
            "formula_anonymous": "ABC3",
            "energy": -87.00403593000001,
            "energy_per_atom": -8.700403593,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -86.28203593,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0487519,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:41.923000Z",
            "spacegroup": 113
        },
        {
            "id": "mp-1245323",
            "created_at": "2022-09-04T14:39:09.222168Z",
            "structure_string": "Al40 O60\n1.0\n10.193517 0.412527 -0.595361\n0.379613 10.307666 0.113041\n-0.557371 0.107069 10.670602\nAl O\n40 60\ndirect\n0.350269 0.571433 0.381950 Al\n0.433958 0.007669 0.635566 Al\n0.920634 0.707970 0.555256 Al\n0.972450 0.630858 0.943606 Al\n0.373182 0.864414 0.874118 Al\n0.945001 0.135063 0.660603 Al\n0.337183 0.296475 0.538077 Al\n0.942160 0.971305 0.969701 Al\n0.191663 0.763920 0.054301 Al\n0.070464 0.393929 0.688122 Al\n0.785416 0.670261 0.199832 Al\n0.700851 0.228615 0.085184 Al\n0.718009 0.967472 0.229965 Al\n0.453186 0.708466 0.625635 Al\n0.093219 0.863506 0.771518 Al\n0.975758 0.180124 0.105121 Al\n0.863562 0.371816 0.886476 Al\n0.845296 0.205630 0.382269 Al\n0.463217 0.043067 0.361502 Al\n0.415165 0.309267 0.014334 Al\n0.480136 0.302771 0.291745 Al\n0.787948 0.830820 0.769767 Al\n0.497420 0.774064 0.323376 Al\n0.225250 0.915077 0.242621 Al\n0.179011 0.593819 0.614042 Al\n0.142625 0.125514 0.440949 Al\n0.723319 0.988655 0.522319 Al\n0.473622 0.536988 0.163482 Al\n0.719704 0.518733 0.387512 Al\n0.672818 0.610881 0.943533 Al\n0.128156 0.448282 0.098475 Al\n0.778406 0.546240 0.700676 Al\n0.308210 0.556898 0.840498 Al\n0.203508 0.293106 0.291400 Al\n0.176058 0.127175 0.872413 Al\n0.040825 0.573213 0.375739 Al\n0.475950 0.261621 0.795428 Al\n0.986997 0.871733 0.278915 Al\n0.608500 0.033396 0.927986 Al\n0.643355 0.258620 0.542822 Al\n0.573351 0.926865 0.287208 O\n0.319828 0.203973 0.918464 O\n0.795968 0.844056 0.601498 O\n0.622951 0.668274 0.695261 O\n0.986485 0.452624 0.969793 O\n0.078179 0.219362 0.740509 O\n0.308004 0.118645 0.546666 O\n0.587813 0.220212 0.931851 O\n0.953421 0.007226 0.136264 O\n0.378400 0.660569 0.236829 O\n0.505038 0.087945 0.764186 O\n0.108090 0.986857 0.348878 O\n0.763152 0.134610 0.614426 O\n0.754837 0.341906 0.454331 O\n0.550300 0.978819 0.525632 O\n0.564754 0.580194 0.046930 O\n0.824577 0.832019 0.209666 O\n0.835213 0.249165 0.990504 O\n0.718398 0.480826 0.846692 O\n0.358702 0.175814 0.267248 O\n0.820809 0.652590 0.034621 O\n0.224332 0.965842 0.818723 O\n0.129581 0.609939 0.039079 O\n0.550580 0.295082 0.142742 O\n0.403249 0.854500 0.695867 O\n0.347633 0.605511 0.687219 O\n0.771279 0.592209 0.538325 O\n0.124479 0.468382 0.267591 O\n0.221385 0.381092 0.613998 O\n0.301499 0.715655 0.914813 O\n0.679797 0.059762 0.093172 O\n0.331461 0.426524 0.113114 O\n0.017281 0.534270 0.550098 O\n0.891948 0.394219 0.721513 O\n0.635593 0.743092 0.817338 O\n0.208155 0.615865 0.451222 O\n0.844713 0.235548 0.219897 O\n0.468558 0.673694 0.468081 O\n0.268812 0.909306 0.087207 O\n0.646869 0.673924 0.290721 O\n0.116505 0.785929 0.207931 O\n0.116142 0.273659 0.135192 O\n0.033259 0.817629 0.929111 O\n0.504660 0.307862 0.629533 O\n0.985738 0.164387 0.502453 O\n0.362779 0.903360 0.355693 O\n0.790803 0.036125 0.378700 O\n0.554084 0.460402 0.312408 O\n0.144088 0.522081 0.782681 O\n0.082521 0.750722 0.650672 O\n0.879012 0.669544 0.784960 O\n0.962987 0.981621 0.734195 O\n0.866233 0.539268 0.300025 O\n0.515863 0.904361 0.956514 O\n0.418649 0.414706 0.872526 O\n0.041895 0.105410 0.958392 O\n0.970178 0.746246 0.404127 O\n0.563711 0.188062 0.407817 O\n0.354120 0.386529 0.393490 O\n0.775785 0.953064 0.885967 O\n",
            "nsites": 100,
            "nelements": 2,
            "elements": [
                "Al",
                "O"
            ],
            "chemical_system": "Al-O",
            "density": 3.0344871697116456,
            "density_atomic": 0.089612985334067,
            "volume": 1115.909704684108,
            "volume_molar": 6.72016531705773,
            "formula_full": "Al40 O60",
            "formula_reduced": "Al2O3",
            "formula_anonymous": "A2B3",
            "energy": -747.6701858,
            "energy_per_atom": -7.476701858,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -719.7701858,
            "band_gap": 1.705699999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0089086,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:41.766000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-8177",
            "created_at": "2022-09-04T14:39:07.527965Z",
            "structure_string": "Hg1 F2\n1.0\n0.000000 2.826404 2.826404\n2.826404 0.000000 2.826404\n2.826404 2.826404 0.000000\nHg F\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Hg",
                "F"
            ],
            "chemical_system": "F-Hg",
            "density": 8.773296534472575,
            "density_atomic": 0.0664337154370901,
            "volume": 45.15779345264638,
            "volume_molar": 9.064886286094763,
            "formula_full": "Hg1 F2",
            "formula_reduced": "HgF2",
            "formula_anonymous": "AB2",
            "energy": -9.2472201,
            "energy_per_atom": -3.0824067,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.3232201,
            "band_gap": 0.9687,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0016513,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:29.713000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1180295",
            "created_at": "2022-09-04T14:39:09.237012Z",
            "structure_string": "Na6 Si34\n1.0\n0.000000 7.400189 7.400189\n7.400189 0.000000 7.400189\n7.400189 7.400189 0.000000\nNa Si\n6 34\ndirect\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.125000 0.625000 0.625000 Na\n0.625000 0.125000 0.625000 Na\n0.625000 0.625000 0.125000 Na\n0.625000 0.625000 0.625000 Na\n0.500000 0.500000 0.500000 Si\n0.750000 0.750000 0.750000 Si\n0.779466 0.406845 0.406845 Si\n0.406845 0.779466 0.406845 Si\n0.406845 0.406845 0.779466 Si\n0.406845 0.406845 0.406845 Si\n0.470534 0.843155 0.843155 Si\n0.843155 0.470534 0.843155 Si\n0.843155 0.843155 0.470534 Si\n0.843155 0.843155 0.843155 Si\n0.860654 0.253803 0.253803 Si\n0.253803 0.860654 0.631741 Si\n0.253803 0.631741 0.860654 Si\n0.631741 0.253803 0.253803 Si\n0.253803 0.253803 0.860654 Si\n0.860654 0.631741 0.253803 Si\n0.631741 0.860654 0.253803 Si\n0.253803 0.253803 0.631741 Si\n0.253803 0.860654 0.253803 Si\n0.631741 0.253803 0.860654 Si\n0.860654 0.253803 0.631741 Si\n0.253803 0.631741 0.253803 Si\n0.389346 0.996197 0.996197 Si\n0.996197 0.389346 0.618259 Si\n0.996197 0.618259 0.389346 Si\n0.618259 0.996197 0.996197 Si\n0.996197 0.996197 0.389346 Si\n0.389346 0.618259 0.996197 Si\n0.618259 0.389346 0.996197 Si\n0.996197 0.996197 0.618259 Si\n0.996197 0.389346 0.996197 Si\n0.618259 0.996197 0.389346 Si\n0.389346 0.996197 0.618259 Si\n0.996197 0.618259 0.996197 Si\n",
            "nsites": 40,
            "nelements": 2,
            "elements": [
                "Na",
                "Si"
            ],
            "chemical_system": "Na-Si",
            "density": 2.238976219894463,
            "density_atomic": 0.04935163673879765,
            "volume": 810.5100994260259,
            "volume_molar": 12.202514765362809,
            "formula_full": "Na6 Si34",
            "formula_reduced": "Na3Si17",
            "formula_anonymous": "A3B17",
            "energy": -190.15713861,
            "energy_per_atom": -4.7539284652500005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -192.57113861,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0454161,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:32.543000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-18555",
            "created_at": "2022-09-04T14:39:09.282379Z",
            "structure_string": "K4 Er4 S8 O32\n1.0\n13.501145 0.000000 0.000000\n0.000000 5.496255 0.000000\n0.000000 4.980905 8.878416\nK Er S O\n4 4 8 32\ndirect\n0.088308 0.590253 0.656119 K\n0.588308 0.409747 0.843881 K\n0.911692 0.409747 0.343881 K\n0.411692 0.590253 0.156119 K\n0.348558 0.090297 0.686895 Er\n0.848558 0.909703 0.813105 Er\n0.651442 0.909703 0.313105 Er\n0.151442 0.090297 0.186895 Er\n0.116690 0.823247 0.920067 S\n0.616690 0.176753 0.579933 S\n0.883310 0.176753 0.079933 S\n0.383310 0.823247 0.420067 S\n0.337400 0.360190 0.886954 S\n0.837400 0.639810 0.613046 S\n0.662600 0.639810 0.113046 S\n0.162600 0.360190 0.386954 S\n0.033345 0.936112 0.811166 O\n0.533345 0.063888 0.688834 O\n0.966655 0.063888 0.188834 O\n0.466655 0.936112 0.311166 O\n0.378648 0.968700 0.510230 O\n0.878648 0.031300 0.989770 O\n0.621352 0.031300 0.489770 O\n0.121352 0.968700 0.010230 O\n0.101284 0.519998 0.021595 O\n0.601284 0.480002 0.478405 O\n0.898716 0.480002 0.978405 O\n0.398716 0.519998 0.521595 O\n0.211255 0.863711 0.837327 O\n0.711255 0.136289 0.662673 O\n0.788745 0.136289 0.162673 O\n0.288745 0.863711 0.337327 O\n0.233165 0.415759 0.264075 O\n0.733165 0.584241 0.235925 O\n0.766835 0.584241 0.735925 O\n0.266835 0.415759 0.764075 O\n0.290633 0.257944 0.035823 O\n0.790633 0.742056 0.464177 O\n0.709367 0.742056 0.964177 O\n0.209367 0.257944 0.535823 O\n0.103359 0.615302 0.351826 O\n0.603359 0.384698 0.148174 O\n0.896641 0.384698 0.648174 O\n0.396641 0.615302 0.851826 O\n0.093625 0.139246 0.392511 O\n0.593625 0.860754 0.107489 O\n0.906375 0.860754 0.607489 O\n0.406375 0.139246 0.892511 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "K",
                "Er",
                "S",
                "O"
            ],
            "chemical_system": "Er-K-O-S",
            "density": 4.017402789903362,
            "density_atomic": 0.07285649462280165,
            "volume": 658.8293912369702,
            "volume_molar": 8.26575693927947,
            "formula_full": "K4 Er4 S8 O32",
            "formula_reduced": "KEr(SO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -336.80971707,
            "energy_per_atom": -7.016869105624999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -314.82571707,
            "band_gap": 5.8689,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0034607,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:30.354000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1327635",
            "created_at": "2022-09-04T14:39:09.284796Z",
            "structure_string": "Li4 Ni2 P4 O14\n1.0\n5.114915 0.000000 0.000000\n-2.469593 6.598813 0.000000\n-0.065715 -3.729386 7.833240\nLi Ni P O\n4 2 4 14\ndirect\n0.065285 0.301741 0.008526 Li\n0.322411 0.860602 0.749055 Li\n0.677589 0.139398 0.250945 Li\n0.934715 0.698259 0.991474 Li\n0.145016 0.817208 0.334140 Ni\n0.854984 0.182792 0.665860 Ni\n0.253143 0.250538 0.395547 P\n0.480469 0.693300 0.140906 P\n0.519531 0.306700 0.859094 P\n0.746857 0.749462 0.604453 P\n0.997873 0.280422 0.433692 O\n0.438478 0.136600 0.551438 O\n0.155010 0.139357 0.258987 O\n0.199427 0.231313 0.852733 O\n0.305404 0.623160 0.988016 O\n0.456526 0.483150 0.314999 O\n0.649150 0.149500 0.846978 O\n0.350850 0.850500 0.153022 O\n0.543474 0.516850 0.685001 O\n0.694596 0.376840 0.011984 O\n0.800573 0.768687 0.147267 O\n0.844990 0.860643 0.741013 O\n0.561522 0.863400 0.448562 O\n0.002127 0.719578 0.566308 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Li",
                "Ni",
                "P",
                "O"
            ],
            "chemical_system": "Li-Ni-O-P",
            "density": 3.0965873051806776,
            "density_atomic": 0.09077485554665535,
            "volume": 264.3903959468685,
            "volume_molar": 6.634150749934066,
            "formula_full": "Li4 Ni2 P4 O14",
            "formula_reduced": "Li2NiP2O7",
            "formula_anonymous": "AB2C2D7",
            "energy": -102.70998664,
            "energy_per_atom": -4.2795827766666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -91.11798664,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0115365,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.646000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-29560",
            "created_at": "2022-09-04T14:39:08.058588Z",
            "structure_string": "La12 Si14 Br6\n1.0\n4.148780 0.000000 0.000000\n0.000000 11.887188 0.000000\n0.000000 0.000000 16.924627\nLa Si Br\n12 14 6\ndirect\n0.500000 0.342402 0.500000 La\n0.000000 0.657598 0.000000 La\n0.500000 0.357567 0.755833 La\n0.000000 0.642433 0.744167 La\n0.500000 0.357567 0.244167 La\n0.000000 0.642433 0.255833 La\n0.500000 0.064714 0.880196 La\n0.000000 0.935286 0.619804 La\n0.500000 0.064714 0.119804 La\n0.000000 0.935286 0.380196 La\n0.500000 0.357718 0.000000 La\n0.000000 0.642282 0.500000 La\n0.000000 0.152968 0.000000 Si\n0.500000 0.847032 0.500000 Si\n0.500000 0.566362 0.876644 Si\n0.000000 0.433638 0.623356 Si\n0.500000 0.566362 0.123356 Si\n0.000000 0.433638 0.376644 Si\n0.000000 0.254480 0.875530 Si\n0.500000 0.745520 0.624470 Si\n0.000000 0.254480 0.124470 Si\n0.500000 0.745520 0.375530 Si\n0.000000 0.458492 0.876315 Si\n0.500000 0.541508 0.623685 Si\n0.500000 0.541508 0.376315 Si\n0.000000 0.458492 0.123685 Si\n0.500000 0.108377 0.692134 Br\n0.000000 0.891623 0.807866 Br\n0.000000 0.137861 0.500000 Br\n0.500000 0.862139 0.000000 Br\n0.500000 0.108377 0.307866 Br\n0.000000 0.891623 0.192134 Br\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "La",
                "Si",
                "Br"
            ],
            "chemical_system": "Br-La-Si",
            "density": 5.05215174762815,
            "density_atomic": 0.038338166142884204,
            "volume": 834.6773781703013,
            "volume_molar": 15.707952064154082,
            "formula_full": "La12 Si14 Br6",
            "formula_reduced": "La6Si7Br3",
            "formula_anonymous": "A3B6C7",
            "energy": -181.99123372,
            "energy_per_atom": -5.68722605375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -179.78123372,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.002272,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.333000Z",
            "spacegroup": 59
        },
        {
            "id": "mp-1183653",
            "created_at": "2022-09-04T14:39:07.840376Z",
            "structure_string": "Cd6 Os2\n1.0\n2.990935 -5.180451 0.000000\n2.990935 5.180451 0.000000\n0.000000 0.000000 4.859414\nCd Os\n6 2\ndirect\n0.827480 0.172520 0.750000 Cd\n0.345041 0.172520 0.750000 Cd\n0.827480 0.654959 0.750000 Cd\n0.172520 0.827480 0.250000 Cd\n0.654959 0.827480 0.250000 Cd\n0.172520 0.345041 0.250000 Cd\n0.666667 0.333333 0.250000 Os\n0.333333 0.666667 0.750000 Os\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Cd",
                "Os"
            ],
            "chemical_system": "Cd-Os",
            "density": 11.632756899183695,
            "density_atomic": 0.05312531836201177,
            "volume": 150.58733286990608,
            "volume_molar": 11.335726440194364,
            "formula_full": "Cd6 Os2",
            "formula_reduced": "Cd3Os",
            "formula_anonymous": "AB3",
            "energy": -24.1213708,
            "energy_per_atom": -3.01517135,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -24.1213708,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004104,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:26.776000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-556040",
            "created_at": "2022-09-04T14:39:10.628450Z",
            "structure_string": "Ca8 S16 Cl16 O48\n1.0\n9.389647 0.000000 0.000000\n0.000000 10.446264 0.000000\n0.000000 0.000000 17.638126\nCa S Cl O\n8 16 16 48\ndirect\n0.639019 0.401947 0.371618 Ca\n0.860981 0.901947 0.628382 Ca\n0.639019 0.901947 0.128382 Ca\n0.139019 0.098053 0.371618 Ca\n0.360981 0.598053 0.628382 Ca\n0.139019 0.598053 0.128382 Ca\n0.860981 0.401947 0.871618 Ca\n0.360981 0.098053 0.871618 Ca\n0.031918 0.649603 0.746419 S\n0.221519 0.387210 0.969076 S\n0.968082 0.350397 0.253581 S\n0.468082 0.149603 0.253581 S\n0.278481 0.387210 0.469076 S\n0.221519 0.887210 0.530924 S\n0.968082 0.850397 0.246419 S\n0.468082 0.649603 0.246419 S\n0.031918 0.149603 0.753581 S\n0.778481 0.112790 0.469076 S\n0.721519 0.612790 0.530924 S\n0.278481 0.887210 0.030924 S\n0.531918 0.350397 0.753581 S\n0.531918 0.850397 0.746419 S\n0.721519 0.112790 0.969076 S\n0.778481 0.612790 0.030924 S\n0.858262 0.487766 0.583625 Cl\n0.380853 0.256979 0.167926 Cl\n0.358262 0.012234 0.583625 Cl\n0.619147 0.243021 0.667926 Cl\n0.880853 0.743021 0.332074 Cl\n0.619147 0.743021 0.832074 Cl\n0.119147 0.256979 0.667926 Cl\n0.119147 0.756979 0.832074 Cl\n0.880853 0.243021 0.167926 Cl\n0.141738 0.012234 0.083625 Cl\n0.641738 0.987766 0.416375 Cl\n0.858262 0.987766 0.916375 Cl\n0.141738 0.512234 0.416375 Cl\n0.358262 0.512234 0.916375 Cl\n0.641738 0.487766 0.083625 Cl\n0.380853 0.756979 0.332074 Cl\n0.785331 0.238867 0.958674 O\n0.562256 0.237446 0.293392 O\n0.956760 0.546734 0.784941 O\n0.280013 0.429843 0.548005 O\n0.085621 0.903761 0.569514 O\n0.719987 0.570157 0.451995 O\n0.543240 0.046734 0.215059 O\n0.914379 0.596239 0.069514 O\n0.085621 0.403761 0.930486 O\n0.847824 0.394221 0.298920 O\n0.285331 0.761133 0.541326 O\n0.543240 0.546734 0.284941 O\n0.780013 0.570157 0.951995 O\n0.414379 0.403761 0.430486 O\n0.956760 0.046734 0.715059 O\n0.562256 0.737446 0.206608 O\n0.585621 0.096239 0.930486 O\n0.152176 0.605779 0.701080 O\n0.043240 0.453266 0.215059 O\n0.714669 0.738867 0.041326 O\n0.152176 0.105779 0.798920 O\n0.285331 0.261133 0.958674 O\n0.347824 0.605779 0.201080 O\n0.785331 0.738867 0.541326 O\n0.914379 0.096239 0.430486 O\n0.437744 0.762554 0.706608 O\n0.062256 0.262554 0.293392 O\n0.414379 0.903761 0.069514 O\n0.219987 0.929843 0.451995 O\n0.437744 0.262554 0.793392 O\n0.219987 0.429843 0.048005 O\n0.585621 0.596239 0.569514 O\n0.714669 0.238867 0.458674 O\n0.280013 0.929843 0.951995 O\n0.456760 0.953266 0.784941 O\n0.214669 0.261133 0.458674 O\n0.652176 0.394221 0.798920 O\n0.062256 0.762554 0.206608 O\n0.043240 0.953266 0.284941 O\n0.719987 0.070157 0.048005 O\n0.214669 0.761133 0.041326 O\n0.652176 0.894221 0.701080 O\n0.937744 0.237446 0.793392 O\n0.937744 0.737446 0.706608 O\n0.847824 0.894221 0.201080 O\n0.456760 0.453266 0.715059 O\n0.780013 0.070157 0.548005 O\n0.347824 0.105779 0.298920 O\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Ca",
                "S",
                "Cl",
                "O"
            ],
            "chemical_system": "Ca-Cl-O-S",
            "density": 2.081721170350627,
            "density_atomic": 0.05086510774496774,
            "volume": 1730.0661278694754,
            "volume_molar": 11.839433802429705,
            "formula_full": "Ca8 S16 Cl16 O48",
            "formula_reduced": "CaS2(ClO3)2",
            "formula_anonymous": "AB2C2D6",
            "energy": -531.34431582,
            "energy_per_atom": -6.038003588863637,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -488.54431582000007,
            "band_gap": 4.6536,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002442,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:28.012000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1217505",
            "created_at": "2022-09-04T14:39:09.223468Z",
            "structure_string": "Tm6 Ag4 Pb8\n1.0\n-2.470141 -4.285926 0.000713\n-4.940283 0.000000 0.000000\n0.000000 0.004629 -23.451854\nTm Ag Pb\n6 4 8\ndirect\n0.999629 0.000185 0.232864 Tm\n0.999750 0.000125 0.574584 Tm\n0.999988 0.000006 0.912035 Tm\n0.999990 0.000005 0.097620 Tm\n0.000352 0.999824 0.420916 Tm\n0.000806 0.999597 0.757696 Tm\n0.332984 0.333508 0.165204 Ag\n0.332911 0.333545 0.505075 Ag\n0.333995 0.333003 0.846055 Ag\n0.666607 0.666697 0.164696 Ag\n0.666585 0.666708 0.501340 Pb\n0.667519 0.666241 0.832648 Pb\n0.666118 0.666941 0.030284 Pb\n0.666869 0.666565 0.353659 Pb\n0.666623 0.666689 0.688039 Pb\n0.333343 0.333328 0.299492 Pb\n0.333102 0.333449 0.639646 Pb\n0.332828 0.333586 0.978148 Pb\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Tm",
                "Ag",
                "Pb"
            ],
            "chemical_system": "Ag-Pb-Tm",
            "density": 10.375574387819677,
            "density_atomic": 0.03624923464073768,
            "volume": 496.5622082340797,
            "volume_molar": 16.613152856011443,
            "formula_full": "Tm6 Ag4 Pb8",
            "formula_reduced": "Tm3(AgPb2)2",
            "formula_anonymous": "A2B3C4",
            "energy": -70.13161204,
            "energy_per_atom": -3.8962006688888886,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.13161204,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0534458,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.202000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-684978",
            "created_at": "2022-09-04T14:39:11.812083Z",
            "structure_string": "Sc29 S42\n1.0\n1.855756 6.100484 0.000000\n-1.855756 6.100484 0.000000\n0.000000 6.081964 66.237107\nSc S\n29 42\ndirect\n0.001556 0.001556 0.000653 Sc\n0.427965 0.427965 0.046851 Sc\n0.146111 0.146111 0.072084 Sc\n0.855317 0.855317 0.098247 Sc\n0.284938 0.284938 0.144645 Sc\n0.714134 0.714134 0.190165 Sc\n0.143004 0.143004 0.238187 Sc\n0.571362 0.571362 0.285751 Sc\n0.000014 0.000014 0.333324 Sc\n0.428696 0.428696 0.380918 Sc\n0.856967 0.856967 0.428509 Sc\n0.714924 0.714924 0.522017 Sc\n0.285823 0.285823 0.476523 Sc\n0.572025 0.572025 0.619784 Sc\n0.144691 0.144691 0.568407 Sc\n0.854023 0.854023 0.594543 Sc\n0.998393 0.998393 0.666069 Sc\n0.714444 0.714444 0.689996 Sc\n0.428285 0.428285 0.714362 Sc\n0.142822 0.142822 0.738788 Sc\n0.858630 0.858630 0.762666 Sc\n0.284420 0.284420 0.808730 Sc\n0.999070 0.999070 0.832700 Sc\n0.715784 0.715784 0.857009 Sc\n0.426948 0.426948 0.880914 Sc\n0.142707 0.142707 0.904735 Sc\n0.858658 0.858658 0.928579 Sc\n0.570520 0.570520 0.952459 Sc\n0.286325 0.286325 0.976695 Sc\n0.362492 0.362492 0.011095 S\n0.785466 0.785466 0.059230 S\n0.065198 0.065198 0.035987 S\n0.215607 0.215607 0.105504 S\n0.501250 0.501250 0.081880 S\n0.651332 0.651332 0.154707 S\n0.921075 0.921075 0.130178 S\n0.080992 0.080992 0.202663 S\n0.349352 0.349352 0.178977 S\n0.509212 0.509212 0.249961 S\n0.775597 0.775597 0.226211 S\n0.937573 0.937573 0.297668 S\n0.205050 0.205050 0.273781 S\n0.365999 0.365999 0.345329 S\n0.634034 0.634034 0.321357 S\n0.795012 0.795012 0.392904 S\n0.062435 0.062435 0.368996 S\n0.224401 0.224401 0.440462 S\n0.490712 0.490712 0.416716 S\n0.650626 0.650626 0.487667 S\n0.919047 0.919047 0.464000 S\n0.078865 0.078865 0.536481 S\n0.348586 0.348586 0.511952 S\n0.498794 0.498794 0.584732 S\n0.784399 0.784399 0.561126 S\n0.934849 0.934849 0.630627 S\n0.214560 0.214560 0.607399 S\n0.355614 0.355614 0.678439 S\n0.637238 0.637238 0.655597 S\n0.785617 0.785617 0.726365 S\n0.071530 0.071530 0.702424 S\n0.219278 0.219278 0.773365 S\n0.501231 0.501231 0.750226 S\n0.641564 0.641564 0.821405 S\n0.923776 0.923776 0.798097 S\n0.070982 0.070982 0.868860 S\n0.356517 0.356517 0.844935 S\n0.500161 0.500161 0.916527 S\n0.785533 0.785533 0.892995 S\n0.929313 0.929313 0.964474 S\n0.214676 0.214676 0.940587 S\n0.644455 0.644455 0.988092 S\n",
            "nsites": 71,
            "nelements": 2,
            "elements": [
                "Sc",
                "S"
            ],
            "chemical_system": "S-Sc",
            "density": 2.9346237859650333,
            "density_atomic": 0.04734148007381771,
            "volume": 1499.7418730739405,
            "volume_molar": 12.720643187770879,
            "formula_full": "Sc29 S42",
            "formula_reduced": "Sc29S42",
            "formula_anonymous": "A29B42",
            "energy": -497.61368288,
            "energy_per_atom": -7.00864342084507,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -476.48768288,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.3752383,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.242000Z",
            "spacegroup": 8
        }
    ]
}