GET /third-parties/MatprojStructure/?format=api&ordering=nsites&page=12164
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=nsites&page=12165",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=12163",
    "results": [
        {
            "id": "mp-1194856",
            "created_at": "2022-09-04T14:45:25.261395Z",
            "structure_string": "P12 H84 C36 S8 O24 F24\n1.0\n13.750272 0.000000 0.000000\n0.000000 11.945931 0.000000\n-9.003596 0.000000 13.806765\nP H C S O F\n12 84 36 8 24 24\ndirect\n0.752373 0.035344 0.117777 P\n0.752373 0.464656 0.617777 P\n0.247627 0.964656 0.882223 P\n0.247627 0.535344 0.382223 P\n0.677788 0.135387 0.186994 P\n0.677788 0.364613 0.686994 P\n0.322212 0.864613 0.813006 P\n0.322212 0.635387 0.313006 P\n0.861128 0.144783 0.086375 P\n0.861128 0.355217 0.586375 P\n0.138872 0.855217 0.913625 P\n0.138872 0.644783 0.413625 P\n0.822938 0.898424 0.243358 H\n0.822938 0.601576 0.743358 H\n0.177062 0.101576 0.756642 H\n0.177062 0.398424 0.256642 H\n0.928575 0.010255 0.286800 H\n0.928575 0.489745 0.786800 H\n0.071425 0.989745 0.713200 H\n0.071425 0.510255 0.213200 H\n0.914205 0.910098 0.199071 H\n0.914205 0.589902 0.699071 H\n0.085795 0.089902 0.800929 H\n0.085795 0.410098 0.300929 H\n0.718690 0.987882 0.300910 H\n0.718690 0.512118 0.800910 H\n0.281310 0.012118 0.699090 H\n0.281310 0.487882 0.199090 H\n0.680793 0.118440 0.330193 H\n0.680793 0.381560 0.830193 H\n0.319207 0.881560 0.669807 H\n0.319207 0.618440 0.169807 H\n0.824665 0.099312 0.355024 H\n0.824665 0.400688 0.855024 H\n0.175335 0.900688 0.644976 H\n0.175335 0.599312 0.144976 H\n0.489393 0.143292 0.040544 H\n0.489393 0.356708 0.540544 H\n0.510607 0.856708 0.959456 H\n0.510607 0.643292 0.459456 H\n0.485630 0.150411 0.147858 H\n0.485630 0.349589 0.647858 H\n0.514370 0.849589 0.852142 H\n0.514370 0.650411 0.352142 H\n0.509593 0.017655 0.108966 H\n0.509593 0.482345 0.608966 H\n0.490407 0.982345 0.891034 H\n0.490407 0.517655 0.391034 H\n0.660799 0.319942 0.124041 H\n0.660799 0.180058 0.624041 H\n0.339201 0.680058 0.875959 H\n0.339201 0.819942 0.375959 H\n0.788312 0.305338 0.246026 H\n0.788312 0.194662 0.746026 H\n0.211688 0.694662 0.753974 H\n0.211688 0.805338 0.253974 H\n0.645297 0.316179 0.225134 H\n0.645297 0.183821 0.725134 H\n0.354703 0.683821 0.774866 H\n0.354703 0.816179 0.274866 H\n0.811750 0.021355 0.954508 H\n0.811750 0.478645 0.454508 H\n0.188250 0.978645 0.045492 H\n0.188250 0.521355 0.545492 H\n0.863849 0.155755 0.945145 H\n0.863849 0.344245 0.445145 H\n0.136151 0.844245 0.054855 H\n0.136151 0.655755 0.554855 H\n0.717358 0.142616 0.916038 H\n0.717358 0.357384 0.416038 H\n0.282642 0.857384 0.083962 H\n0.282642 0.642616 0.583962 H\n0.891547 0.315955 0.172218 H\n0.891547 0.184045 0.672218 H\n0.108453 0.684045 0.827782 H\n0.108453 0.815955 0.327782 H\n0.765970 0.322683 0.048788 H\n0.765970 0.177317 0.548788 H\n0.234030 0.677317 0.951212 H\n0.234030 0.822683 0.451212 H\n0.910619 0.330267 0.073138 H\n0.910619 0.169733 0.573138 H\n0.089381 0.669733 0.926862 H\n0.089381 0.830267 0.426862 H\n0.018321 0.012411 0.151422 H\n0.018321 0.487589 0.651422 H\n0.981679 0.987589 0.848578 H\n0.981679 0.512411 0.348578 H\n0.048604 0.127244 0.234194 H\n0.048604 0.372756 0.734194 H\n0.951396 0.872756 0.765806 H\n0.951396 0.627244 0.265806 H\n0.055508 0.147737 0.129353 H\n0.055508 0.352263 0.629353 H\n0.944492 0.852263 0.870647 H\n0.944492 0.647737 0.370647 H\n0.867853 0.958411 0.224376 C\n0.867853 0.541589 0.724376 C\n0.132147 0.041589 0.775624 C\n0.132147 0.458411 0.275624 C\n0.732461 0.078765 0.305581 C\n0.732461 0.421235 0.805581 C\n0.267539 0.921235 0.694419 C\n0.267539 0.578765 0.194419 C\n0.524558 0.108234 0.112910 C\n0.524558 0.391766 0.612910 C\n0.475442 0.891766 0.887090 C\n0.475442 0.608234 0.387090 C\n0.696187 0.285099 0.196445 C\n0.696187 0.214901 0.696445 C\n0.303813 0.714901 0.803555 C\n0.303813 0.785099 0.303555 C\n0.806887 0.112119 0.962249 C\n0.806887 0.387881 0.462249 C\n0.193113 0.887881 0.037751 C\n0.193113 0.612119 0.537751 C\n0.855928 0.294301 0.096464 C\n0.855928 0.205699 0.596464 C\n0.144072 0.705699 0.903536 C\n0.144072 0.794301 0.403536 C\n0.011301 0.102835 0.158654 C\n0.011301 0.397165 0.658654 C\n0.988699 0.897165 0.841346 C\n0.988699 0.602835 0.341346 C\n0.795733 0.674608 0.019078 C\n0.795733 0.825392 0.519078 C\n0.204267 0.325392 0.980922 C\n0.204267 0.174608 0.480922 C\n0.430183 0.389211 0.840344 C\n0.430183 0.110789 0.340344 C\n0.569817 0.610789 0.159656 C\n0.569817 0.889211 0.659656 C\n0.939188 0.736308 0.055660 S\n0.939188 0.763692 0.555660 S\n0.060812 0.263692 0.944340 S\n0.060812 0.236308 0.444340 S\n0.483962 0.240967 0.857722 S\n0.483962 0.259033 0.357722 S\n0.516038 0.759033 0.142278 S\n0.516038 0.740967 0.642278 S\n0.912763 0.855214 0.032263 O\n0.912763 0.644786 0.532263 O\n0.087237 0.144786 0.967737 O\n0.087237 0.355214 0.467737 O\n0.971839 0.675938 0.997040 O\n0.971839 0.824062 0.497040 O\n0.028161 0.324062 0.002960 O\n0.028161 0.175938 0.502960 O\n0.012097 0.713063 0.159915 O\n0.012097 0.786937 0.659915 O\n0.987903 0.286937 0.840085 O\n0.987903 0.213063 0.340085 O\n0.523602 0.232759 0.791747 O\n0.523602 0.267241 0.291747 O\n0.476398 0.767241 0.208253 O\n0.476398 0.732759 0.708253 O\n0.383062 0.172929 0.832610 O\n0.383062 0.327071 0.332610 O\n0.616938 0.827071 0.167390 O\n0.616938 0.672929 0.667390 O\n0.577758 0.237889 0.960653 O\n0.577758 0.262111 0.460653 O\n0.422242 0.762111 0.039347 O\n0.422242 0.737889 0.539347 O\n0.806856 0.563596 0.042069 F\n0.806856 0.936404 0.542069 F\n0.193144 0.436404 0.957931 F\n0.193144 0.063596 0.457931 F\n0.753080 0.727194 0.066404 F\n0.753080 0.772806 0.566404 F\n0.246920 0.272806 0.933596 F\n0.246920 0.227194 0.433596 F\n0.716920 0.684457 0.922638 F\n0.716920 0.815543 0.422638 F\n0.283080 0.315543 0.077362 F\n0.283080 0.184457 0.577362 F\n0.397012 0.416002 0.901781 F\n0.397012 0.083998 0.401781 F\n0.602988 0.583998 0.098219 F\n0.602988 0.916002 0.598219 F\n0.515079 0.462390 0.856621 F\n0.515079 0.037610 0.356621 F\n0.484921 0.537610 0.143379 F\n0.484921 0.962390 0.643379 F\n0.337709 0.406085 0.748131 F\n0.337709 0.093915 0.248131 F\n0.662291 0.593915 0.251869 F\n0.662291 0.906085 0.751869 F\n",
            "nsites": 188,
            "nelements": 6,
            "elements": [
                "P",
                "H",
                "C",
                "S",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-O-P-S",
            "density": 1.4535539044296524,
            "density_atomic": 0.08289620046481308,
            "volume": 2267.8964650472767,
            "volume_molar": 7.264676458309107,
            "formula_full": "P12 H84 C36 S8 O24 F24",
            "formula_reduced": "P3H21C9S2(OF)6",
            "formula_anonymous": "A2B3C6D6E9F21",
            "energy": -1027.07162194,
            "energy_per_atom": -5.463146925212767,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -999.49562194,
            "band_gap": 3.9067,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0939435,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:06.147000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-733898",
            "created_at": "2022-09-04T14:43:11.637306Z",
            "structure_string": "Mg12 B44 H36 O96\n1.0\n9.843360 0.000000 0.000000\n0.000000 10.333516 0.000000\n0.000000 0.000000 17.373090\nMg B H O\n12 44 36 96\ndirect\n0.520847 0.750000 0.000000 Mg\n0.979153 0.250000 0.500000 Mg\n0.479153 0.250000 0.000000 Mg\n0.020847 0.750000 0.500000 Mg\n0.933607 0.929267 0.174078 Mg\n0.566393 0.429267 0.325922 Mg\n0.566393 0.070733 0.674078 Mg\n0.933607 0.570733 0.825922 Mg\n0.066393 0.070733 0.825922 Mg\n0.433607 0.570733 0.674078 Mg\n0.433607 0.929267 0.325922 Mg\n0.066393 0.429267 0.174078 Mg\n0.876755 0.750000 0.000000 B\n0.623245 0.250000 0.500000 B\n0.123245 0.250000 0.000000 B\n0.376755 0.750000 0.500000 B\n0.840656 0.556127 0.094673 B\n0.659344 0.056127 0.405327 B\n0.659344 0.443873 0.594673 B\n0.840656 0.943873 0.905327 B\n0.159344 0.443873 0.905327 B\n0.340656 0.943873 0.594673 B\n0.340656 0.556127 0.405327 B\n0.159344 0.056127 0.094673 B\n0.044942 0.717366 0.102675 B\n0.455058 0.217366 0.397325 B\n0.455058 0.282634 0.602675 B\n0.044942 0.782634 0.897325 B\n0.955058 0.282634 0.897325 B\n0.544942 0.782634 0.602675 B\n0.544942 0.717366 0.397325 B\n0.955058 0.217366 0.102675 B\n0.288403 0.648823 0.099781 B\n0.211597 0.148823 0.400219 B\n0.211597 0.351177 0.599781 B\n0.288403 0.851177 0.900219 B\n0.711597 0.351177 0.900219 B\n0.788403 0.851177 0.599781 B\n0.788403 0.648823 0.400219 B\n0.711597 0.148823 0.099781 B\n0.227070 0.842891 0.171083 B\n0.272930 0.342891 0.328917 B\n0.272930 0.157109 0.671083 B\n0.227070 0.657109 0.828917 B\n0.772930 0.157109 0.828917 B\n0.727070 0.657109 0.671083 B\n0.727070 0.842891 0.328917 B\n0.772930 0.342891 0.171083 B\n0.677715 0.967392 0.202952 B\n0.822285 0.467392 0.297048 B\n0.822285 0.032608 0.702952 B\n0.677715 0.532608 0.797048 B\n0.322285 0.032608 0.797048 B\n0.177715 0.532608 0.702952 B\n0.177715 0.967392 0.297048 B\n0.322285 0.467392 0.202952 B\n0.515352 0.501867 0.170643 H\n0.984648 0.001867 0.329357 H\n0.984648 0.498133 0.670643 H\n0.515352 0.998133 0.829357 H\n0.484648 0.498133 0.829357 H\n0.015352 0.998133 0.670643 H\n0.015352 0.501867 0.329357 H\n0.484648 0.001867 0.170643 H\n0.171532 0.750000 0.000000 H\n0.328468 0.250000 0.500000 H\n0.828468 0.250000 0.000000 H\n0.671532 0.750000 0.500000 H\n0.371120 0.536551 0.017764 H\n0.128880 0.036551 0.482236 H\n0.128880 0.463449 0.517764 H\n0.371120 0.963449 0.982236 H\n0.628880 0.463449 0.982236 H\n0.871120 0.963449 0.517764 H\n0.871120 0.536551 0.482236 H\n0.628880 0.036551 0.017764 H\n0.680147 0.166602 0.266119 H\n0.819853 0.666602 0.233881 H\n0.819853 0.833398 0.766119 H\n0.680147 0.333398 0.733881 H\n0.319853 0.833398 0.733881 H\n0.180147 0.333398 0.766119 H\n0.180147 0.166602 0.233881 H\n0.319853 0.666602 0.266119 H\n0.262988 0.639747 0.289977 H\n0.237012 0.139747 0.210023 H\n0.237012 0.360253 0.789977 H\n0.262988 0.860253 0.710023 H\n0.737012 0.360253 0.710023 H\n0.762988 0.860253 0.789977 H\n0.762988 0.639747 0.210023 H\n0.737012 0.139747 0.289977 H\n0.948595 0.803187 0.063269 O\n0.551405 0.303187 0.436731 O\n0.551405 0.196813 0.563269 O\n0.948595 0.696813 0.936731 O\n0.051405 0.196813 0.936731 O\n0.448595 0.696813 0.563269 O\n0.448595 0.803187 0.436731 O\n0.051405 0.303187 0.063269 O\n0.784151 0.648417 0.038092 O\n0.715849 0.148417 0.461908 O\n0.715849 0.351583 0.538092 O\n0.784151 0.851583 0.961908 O\n0.215849 0.351583 0.961908 O\n0.284151 0.851583 0.538092 O\n0.284151 0.648417 0.461908 O\n0.215849 0.148417 0.038092 O\n0.762956 0.458527 0.115826 O\n0.737044 0.958527 0.384174 O\n0.737044 0.541473 0.615826 O\n0.762956 0.041473 0.884174 O\n0.237044 0.541473 0.884174 O\n0.262956 0.041473 0.615826 O\n0.262956 0.458527 0.384174 O\n0.237044 0.958527 0.115826 O\n0.969124 0.587161 0.120082 O\n0.530876 0.087161 0.379918 O\n0.530876 0.412839 0.620082 O\n0.969124 0.912839 0.879918 O\n0.030876 0.412839 0.879918 O\n0.469124 0.912839 0.620082 O\n0.469124 0.587161 0.379918 O\n0.030876 0.087161 0.120082 O\n0.085103 0.788809 0.171696 O\n0.414897 0.288809 0.328304 O\n0.414897 0.211191 0.671696 O\n0.085103 0.711191 0.828304 O\n0.914897 0.211191 0.828304 O\n0.585103 0.711191 0.671696 O\n0.585103 0.788809 0.328304 O\n0.914897 0.288809 0.171696 O\n0.161643 0.680694 0.055768 O\n0.338357 0.180694 0.444232 O\n0.338357 0.319306 0.555768 O\n0.161643 0.819306 0.944232 O\n0.838357 0.319306 0.944232 O\n0.661643 0.819306 0.555768 O\n0.661643 0.680694 0.444232 O\n0.838357 0.180694 0.055768 O\n0.397024 0.619444 0.045432 O\n0.102976 0.119444 0.454568 O\n0.102976 0.380556 0.545432 O\n0.397024 0.880556 0.954568 O\n0.602976 0.380556 0.954568 O\n0.897024 0.880556 0.545432 O\n0.897024 0.619444 0.454568 O\n0.602976 0.119444 0.045432 O\n0.250869 0.525919 0.145331 O\n0.249131 0.025919 0.354669 O\n0.249131 0.474081 0.645331 O\n0.250869 0.974081 0.854669 O\n0.749131 0.474081 0.854669 O\n0.750869 0.974081 0.645331 O\n0.750869 0.525919 0.354669 O\n0.749131 0.025919 0.145331 O\n0.328045 0.751685 0.149253 O\n0.171955 0.251685 0.350747 O\n0.171955 0.248315 0.649253 O\n0.328045 0.748315 0.850747 O\n0.671955 0.248315 0.850747 O\n0.828045 0.748315 0.649253 O\n0.828045 0.751685 0.350747 O\n0.671955 0.251685 0.149253 O\n0.259952 0.895777 0.249726 O\n0.240048 0.395777 0.250274 O\n0.240048 0.104223 0.749726 O\n0.259952 0.604223 0.750274 O\n0.740048 0.104223 0.750274 O\n0.759952 0.604223 0.749726 O\n0.759952 0.895777 0.250274 O\n0.740048 0.395777 0.249726 O\n0.037109 0.970318 0.285861 O\n0.462891 0.470318 0.214139 O\n0.462891 0.029682 0.785861 O\n0.037109 0.529682 0.714139 O\n0.962891 0.029682 0.714139 O\n0.537109 0.529682 0.785861 O\n0.537109 0.970318 0.214139 O\n0.962891 0.470318 0.285861 O\n0.164184 0.889223 0.493353 O\n0.335816 0.389223 0.006647 O\n0.335816 0.110777 0.993353 O\n0.164184 0.610777 0.506647 O\n0.835816 0.110777 0.506647 O\n0.664184 0.610777 0.993353 O\n0.664184 0.889223 0.006647 O\n0.835816 0.389223 0.493353 O\n",
            "nsites": 188,
            "nelements": 4,
            "elements": [
                "Mg",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-H-Mg-O",
            "density": 2.1984520743812723,
            "density_atomic": 0.10638717938948077,
            "volume": 1767.1302226345974,
            "volume_molar": 5.660588798912599,
            "formula_full": "Mg12 B44 H36 O96",
            "formula_reduced": "Mg3B11(H3O8)3",
            "formula_anonymous": "A3B9C11D24",
            "energy": -1321.70363104,
            "energy_per_atom": -7.0303384629787224,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1255.75163104,
            "band_gap": 3.715100000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0080936,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:54.403000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1208677",
            "created_at": "2022-09-04T14:42:42.286714Z",
            "structure_string": "Zn8 H64 C16 N72 O28\n1.0\n0.000000 0.000000 7.575433\n10.162702 0.000000 0.000000\n0.000000 23.756689 0.000000\nZn H C N O\n8 64 16 72 28\ndirect\n0.016801 0.635820 0.063672 Zn\n0.016801 0.364180 0.936328 Zn\n0.983199 0.864180 0.563672 Zn\n0.983199 0.135820 0.436328 Zn\n0.524528 0.004013 0.164436 Zn\n0.524528 0.995987 0.835564 Zn\n0.475472 0.495987 0.664436 Zn\n0.475472 0.504013 0.335564 Zn\n0.330452 0.069291 0.427040 H\n0.330452 0.930709 0.572960 H\n0.669548 0.430709 0.927040 H\n0.669548 0.569291 0.072960 H\n0.354495 0.675734 0.108939 H\n0.354495 0.324266 0.891061 H\n0.645505 0.824266 0.608939 H\n0.645505 0.175734 0.391061 H\n0.328149 0.151944 0.484133 H\n0.328149 0.848056 0.515867 H\n0.671851 0.348056 0.984133 H\n0.671851 0.651944 0.015867 H\n0.041295 0.405388 0.451035 H\n0.041295 0.594612 0.548965 H\n0.958705 0.094612 0.951035 H\n0.958705 0.905388 0.048965 H\n0.132126 0.509873 0.296343 H\n0.132126 0.490127 0.703657 H\n0.867874 0.990127 0.796343 H\n0.867874 0.009873 0.203657 H\n0.098811 0.890650 0.100149 H\n0.098811 0.109350 0.899851 H\n0.901189 0.609350 0.600149 H\n0.901189 0.390650 0.399851 H\n0.405070 0.319137 0.420910 H\n0.405070 0.680863 0.579090 H\n0.594930 0.180863 0.920910 H\n0.594930 0.819137 0.079090 H\n0.032269 0.316839 0.200311 H\n0.032269 0.683161 0.799689 H\n0.967731 0.183161 0.700311 H\n0.967731 0.816839 0.299689 H\n0.168507 0.002629 0.809113 H\n0.168507 0.997371 0.190887 H\n0.831493 0.497371 0.309113 H\n0.831493 0.502629 0.690887 H\n0.536976 0.431211 0.445388 H\n0.536976 0.568789 0.554612 H\n0.463024 0.068789 0.945388 H\n0.463024 0.931211 0.054612 H\n0.454467 0.447007 0.193645 H\n0.454467 0.552993 0.806355 H\n0.545533 0.052993 0.693645 H\n0.545533 0.947007 0.306355 H\n0.246679 0.073327 0.011274 H\n0.246679 0.926673 0.988726 H\n0.753321 0.426673 0.511274 H\n0.753321 0.573327 0.488726 H\n0.150151 0.380460 0.330827 H\n0.150151 0.619540 0.669173 H\n0.849849 0.119540 0.830827 H\n0.849849 0.880460 0.169173 H\n0.367808 0.544201 0.074923 H\n0.367808 0.455799 0.925077 H\n0.632192 0.955799 0.574923 H\n0.632192 0.044201 0.425077 H\n0.180916 0.090002 0.137653 H\n0.180916 0.909998 0.862347 H\n0.819084 0.409998 0.637653 H\n0.819084 0.590002 0.362347 H\n0.248189 0.442354 0.522308 H\n0.248189 0.557646 0.477691 H\n0.751811 0.057646 0.022308 H\n0.751811 0.942354 0.977692 H\n0.520698 0.306406 0.133373 C\n0.520698 0.693594 0.866627 C\n0.479302 0.193594 0.633373 C\n0.479302 0.806406 0.366627 C\n0.016020 0.013987 0.313907 C\n0.016020 0.986013 0.686093 C\n0.983980 0.486013 0.813907 C\n0.983980 0.513987 0.186093 C\n0.041555 0.349306 0.114641 C\n0.041555 0.650694 0.885359 C\n0.958445 0.150694 0.614641 C\n0.958445 0.849306 0.385359 C\n0.506977 0.270788 0.233450 C\n0.506977 0.729212 0.766550 C\n0.493023 0.229212 0.733450 C\n0.493023 0.770788 0.266550 C\n0.594206 0.312459 0.046985 N\n0.594206 0.687541 0.953015 N\n0.405794 0.187541 0.546985 N\n0.405794 0.812459 0.453015 N\n0.523859 0.319311 0.286388 N\n0.523859 0.680689 0.713612 N\n0.476141 0.180689 0.786388 N\n0.476141 0.819311 0.213612 N\n0.557887 0.182172 0.117743 N\n0.557887 0.817828 0.882257 N\n0.442113 0.317828 0.617743 N\n0.442113 0.682172 0.382257 N\n0.060081 0.338902 0.025071 N\n0.060081 0.661098 0.974929 N\n0.939919 0.161098 0.525071 N\n0.939919 0.838902 0.474929 N\n0.606827 0.190257 0.063157 N\n0.606827 0.809743 0.936843 N\n0.393173 0.309743 0.563157 N\n0.393173 0.690257 0.436843 N\n0.539535 0.390600 0.089661 N\n0.539535 0.609400 0.910339 N\n0.460465 0.109400 0.589661 N\n0.460465 0.890600 0.410339 N\n0.032385 0.049778 0.259396 N\n0.032385 0.950222 0.740604 N\n0.967615 0.450222 0.759396 N\n0.967615 0.549778 0.240604 N\n0.013749 0.387261 0.169271 N\n0.013749 0.612739 0.830729 N\n0.986251 0.112739 0.669271 N\n0.986251 0.887261 0.330729 N\n0.528391 0.139421 0.233504 N\n0.528391 0.860579 0.766496 N\n0.471609 0.360579 0.733504 N\n0.471609 0.639421 0.266496 N\n0.558069 0.213080 0.318727 N\n0.558069 0.786920 0.681273 N\n0.441931 0.286920 0.818727 N\n0.441931 0.713080 0.181273 N\n0.561794 0.107878 0.287544 N\n0.561794 0.892122 0.712456 N\n0.438206 0.392122 0.787544 N\n0.438206 0.607878 0.212456 N\n0.476031 0.345986 0.186732 N\n0.476031 0.654014 0.813268 N\n0.523969 0.154014 0.686732 N\n0.523969 0.845986 0.313268 N\n0.058715 0.221943 0.313355 N\n0.058715 0.778057 0.686645 N\n0.941285 0.278057 0.813355 N\n0.941285 0.721943 0.186645 N\n0.031858 0.118585 0.348120 N\n0.031858 0.881415 0.651880 N\n0.968142 0.381415 0.848120 N\n0.968142 0.618585 0.151880 N\n0.058707 0.181720 0.261242 N\n0.058707 0.818280 0.738758 N\n0.941293 0.318280 0.761242 N\n0.941293 0.681720 0.238758 N\n0.017335 0.421903 0.067717 N\n0.017335 0.578097 0.932283 N\n0.982665 0.078097 0.567717 N\n0.982665 0.921903 0.432283 N\n0.097982 0.227206 0.101630 N\n0.097982 0.772794 0.898370 N\n0.902018 0.272794 0.601630 N\n0.902018 0.727206 0.398370 N\n0.107958 0.224393 0.045389 N\n0.107958 0.775607 0.954611 N\n0.892042 0.275607 0.545389 N\n0.892042 0.724393 0.454611 N\n0.831088 -0.000000 -0.000000 O\n0.168912 0.500000 0.500000 O\n0.275178 0.146569 0.444675 O\n0.275178 0.853431 0.555325 O\n0.724822 0.353431 0.944675 O\n0.724822 0.646569 0.055325 O\n0.229536 0.006087 0.154299 O\n0.229536 0.993913 0.845701 O\n0.770464 0.493913 0.654299 O\n0.770464 0.506087 0.345701 O\n0.305077 0.628984 0.075659 O\n0.305077 0.371016 0.924341 O\n0.694923 0.871016 0.575659 O\n0.694923 0.128984 0.424341 O\n0.468558 0.400563 0.412181 O\n0.468558 0.599437 0.587819 O\n0.531442 0.099437 0.912181 O\n0.531442 0.900563 0.087819 O\n0.200741 0.470811 0.327530 O\n0.200741 0.529189 0.672470 O\n0.799259 0.029189 0.827530 O\n0.799259 0.970811 0.172470 O\n0.025547 0.842396 0.073037 O\n0.025547 0.157604 0.926963 O\n0.974453 0.657604 0.573037 O\n0.974453 0.342396 0.426963 O\n0.325174 -0.000000 0.000000 O\n0.674826 0.500000 0.500000 O\n",
            "nsites": 188,
            "nelements": 5,
            "elements": [
                "Zn",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-Zn",
            "density": 2.030482775501114,
            "density_atomic": 0.10279104576014252,
            "volume": 1828.9530825349134,
            "volume_molar": 5.858623886415503,
            "formula_full": "Zn8 H64 C16 N72 O28",
            "formula_reduced": "Zn2H16C4N18O7",
            "formula_anonymous": "A2B4C7D16E18",
            "energy": -1227.09986008,
            "energy_per_atom": -6.527126915319149,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1181.87186008,
            "band_gap": 3.7746,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:50.363000Z",
            "spacegroup": 18
        },
        {
            "id": "mp-728473",
            "created_at": "2022-09-04T14:42:27.480176Z",
            "structure_string": "Cr12 H96 C32 N8 O40\n1.0\n8.667829 0.000000 0.000000\n0.000000 11.614538 0.000000\n0.000000 4.989398 19.948055\nCr H C N O\n12 96 32 8 40\ndirect\n0.735205 0.703411 0.659707 Cr\n0.764795 0.203411 0.159707 Cr\n0.264795 0.296589 0.340293 Cr\n0.235205 0.796589 0.840293 Cr\n0.764364 0.563988 0.537915 Cr\n0.735636 0.063988 0.037915 Cr\n0.235636 0.436012 0.462085 Cr\n0.264364 0.936012 0.962085 Cr\n0.738099 0.259685 0.579436 Cr\n0.761901 0.759685 0.079436 Cr\n0.261901 0.740315 0.420564 Cr\n0.238099 0.240315 0.920564 Cr\n0.023175 0.463000 0.683353 H\n0.476825 0.963000 0.183353 H\n0.976825 0.537000 0.316647 H\n0.523175 0.037000 0.816647 H\n0.137380 0.367896 0.646057 H\n0.362620 0.867896 0.146057 H\n0.862620 0.632104 0.353943 H\n0.637380 0.132104 0.853943 H\n0.120980 0.338042 0.736290 H\n0.379020 0.838042 0.236290 H\n0.879020 0.661958 0.263710 H\n0.620980 0.161958 0.763710 H\n0.750127 0.032864 0.702902 H\n0.749873 0.532864 0.202902 H\n0.249873 0.967136 0.297098 H\n0.250127 0.467136 0.797098 H\n0.860124 0.907873 0.748779 H\n0.639876 0.407873 0.248779 H\n0.139876 0.092127 0.251221 H\n0.360124 0.592127 0.751221 H\n0.652974 0.906050 0.754202 H\n0.847026 0.406050 0.254202 H\n0.347026 0.093950 0.245798 H\n0.152974 0.593950 0.745798 H\n0.408023 0.343158 0.745368 H\n0.091977 0.843158 0.245368 H\n0.591977 0.656842 0.254632 H\n0.908023 0.156842 0.754632 H\n0.410368 0.364840 0.655407 H\n0.089632 0.864840 0.155407 H\n0.589632 0.635160 0.344593 H\n0.910368 0.135160 0.844593 H\n0.509335 0.467046 0.693536 H\n0.990665 0.967046 0.193536 H\n0.490665 0.532954 0.306464 H\n0.009335 0.032954 0.806464 H\n0.164973 0.632543 0.625114 H\n0.335027 0.132543 0.125114 H\n0.835027 0.367457 0.374886 H\n0.664973 0.867457 0.874886 H\n0.372883 0.636200 0.630948 H\n0.127117 0.136200 0.130948 H\n0.627117 0.363800 0.369052 H\n0.872883 0.863800 0.869052 H\n0.280896 0.540947 0.585825 H\n0.219104 0.040947 0.085825 H\n0.719104 0.459053 0.414175 H\n0.780896 0.959053 0.914175 H\n0.005874 0.986250 0.600730 H\n0.494126 0.486250 0.100730 H\n0.994126 0.013750 0.399270 H\n0.505874 0.513750 0.899270 H\n0.112851 0.873398 0.573695 H\n0.387149 0.373398 0.073695 H\n0.887149 0.126602 0.426305 H\n0.612851 0.626602 0.926305 H\n0.103674 0.872893 0.661434 H\n0.396326 0.372893 0.161434 H\n0.896326 0.127107 0.338566 H\n0.603674 0.627107 0.838566 H\n0.395452 0.871155 0.581401 H\n0.104548 0.371155 0.081401 H\n0.604548 0.128845 0.418599 H\n0.895452 0.628845 0.918599 H\n0.492908 0.984151 0.612191 H\n0.007092 0.484151 0.112191 H\n0.507092 0.015849 0.387809 H\n0.992908 0.515849 0.887809 H\n0.382583 0.872679 0.668705 H\n0.117417 0.372679 0.168705 H\n0.617417 0.127321 0.331295 H\n0.882583 0.627321 0.831295 H\n0.229483 0.027036 0.700915 H\n0.270517 0.527036 0.200915 H\n0.770517 0.972964 0.299085 H\n0.729483 0.472964 0.799085 H\n0.350081 0.134587 0.645721 H\n0.149919 0.634587 0.145721 H\n0.649919 0.865413 0.354279 H\n0.850081 0.365413 0.854279 H\n0.142526 0.143015 0.636781 H\n0.357474 0.643015 0.136781 H\n0.857474 0.856985 0.363219 H\n0.642526 0.356985 0.863219 H\n0.731760 0.979997 0.502504 H\n0.768240 0.479997 0.002504 H\n0.268240 0.020003 0.497496 H\n0.231760 0.520003 0.997496 H\n0.640924 0.862363 0.472985 H\n0.859076 0.362363 0.972985 H\n0.359076 0.137637 0.527015 H\n0.140924 0.637637 0.027015 H\n0.846616 0.867564 0.479216 H\n0.653384 0.367564 0.979216 H\n0.153384 0.132436 0.520784 H\n0.346616 0.632436 0.020784 H\n0.126365 0.406972 0.689297 C\n0.373635 0.906972 0.189297 C\n0.873635 0.593028 0.310703 C\n0.626365 0.093028 0.810703 C\n0.756364 0.961840 0.748894 C\n0.743636 0.461840 0.248894 C\n0.243636 0.038160 0.251106 C\n0.256364 0.538160 0.751106 C\n0.408807 0.408727 0.696934 C\n0.091193 0.908727 0.196934 C\n0.591193 0.591273 0.303066 C\n0.908807 0.091273 0.803066 C\n0.271646 0.581036 0.628602 C\n0.228354 0.081036 0.128602 C\n0.728354 0.418964 0.371398 C\n0.771646 0.918964 0.871398 C\n0.107326 0.928407 0.610065 C\n0.392674 0.428407 0.110065 C\n0.892674 0.071593 0.389935 C\n0.607326 0.571593 0.889935 C\n0.390696 0.927209 0.617244 C\n0.109304 0.427209 0.117244 C\n0.609304 0.072791 0.382756 C\n0.890696 0.572791 0.882756 C\n0.242268 0.083815 0.650164 C\n0.257732 0.583815 0.150164 C\n0.757732 0.916185 0.349836 C\n0.742268 0.416185 0.849836 C\n0.741398 0.920960 0.468480 C\n0.758602 0.420960 0.968480 C\n0.258602 0.079040 0.531520 C\n0.241398 0.579040 0.031520 C\n0.265579 0.483418 0.691801 N\n0.234421 0.983418 0.191801 N\n0.734421 0.516582 0.308199 N\n0.765579 0.016582 0.808199 N\n0.750260 0.995408 0.397742 N\n0.749740 0.495408 0.897742 N\n0.249740 0.004592 0.602258 N\n0.250260 0.504592 0.102258 N\n0.759482 0.843534 0.624654 O\n0.740518 0.343534 0.124654 O\n0.240518 0.156466 0.375346 O\n0.259482 0.656466 0.875346 O\n0.598599 0.684909 0.715899 O\n0.901401 0.184909 0.215899 O\n0.401401 0.315091 0.284101 O\n0.098599 0.815091 0.784101 O\n0.670978 0.628318 0.595664 O\n0.829022 0.128318 0.095664 O\n0.329022 0.371682 0.404336 O\n0.170978 0.871682 0.904336 O\n0.721918 0.636624 0.462779 O\n0.778082 0.136624 0.962779 O\n0.278082 0.363376 0.537221 O\n0.221918 0.863376 0.037221 O\n0.596498 0.206010 0.630091 O\n0.903502 0.706010 0.130091 O\n0.403502 0.793990 0.369909 O\n0.096498 0.293990 0.869909 O\n0.702712 0.418750 0.548934 O\n0.797288 0.918750 0.048934 O\n0.297288 0.581250 0.451066 O\n0.202712 0.081250 0.951066 O\n0.900362 0.233043 0.619908 O\n0.599638 0.733043 0.119908 O\n0.099638 0.766957 0.380092 O\n0.400362 0.266957 0.880092 O\n0.894985 0.644555 0.693765 O\n0.605015 0.144555 0.193765 O\n0.105015 0.355445 0.306235 O\n0.394985 0.855445 0.806235 O\n0.946223 0.569984 0.549113 O\n0.553777 0.069984 0.049113 O\n0.053777 0.430016 0.450887 O\n0.446223 0.930016 0.950887 O\n0.737965 0.201018 0.515022 O\n0.762035 0.701018 0.015022 O\n0.262035 0.798982 0.484978 O\n0.237965 0.298982 0.984978 O\n",
            "nsites": 188,
            "nelements": 5,
            "elements": [
                "Cr",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Cr-H-N-O",
            "density": 1.5355664651543501,
            "density_atomic": 0.09361490871457712,
            "volume": 2008.2271358421551,
            "volume_molar": 6.432886430900584,
            "formula_full": "Cr12 H96 C32 N8 O40",
            "formula_reduced": "Cr3H24C8(NO5)2",
            "formula_anonymous": "A2B3C8D10E24",
            "energy": -1115.63682655,
            "energy_per_atom": -5.934238439095745,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1061.28082655,
            "band_gap": 3.0674,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0032463,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:50.426000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-720532",
            "created_at": "2022-09-04T14:42:40.760042Z",
            "structure_string": "H4 Os28 C80 O76\n1.0\n20.779344 0.000000 0.000000\n0.000000 9.958244 0.000000\n0.000000 0.289232 15.553646\nH Os C O\n4 28 80 76\ndirect\n0.434677 0.523996 0.397263 H\n0.065323 0.023996 0.897263 H\n0.565323 0.476004 0.602737 H\n0.934677 0.976004 0.102737 H\n0.360798 0.505800 0.344345 Os\n0.139202 0.005800 0.844345 Os\n0.639202 0.494200 0.655655 Os\n0.860798 0.994200 0.155655 Os\n0.300932 0.428109 0.104192 Os\n0.199068 0.928109 0.604192 Os\n0.699068 0.571891 0.895808 Os\n0.800932 0.071891 0.395808 Os\n0.388149 0.791542 0.279816 Os\n0.111851 0.291542 0.779816 Os\n0.611851 0.208458 0.720184 Os\n0.888149 0.708458 0.220184 Os\n0.229629 0.497558 0.262485 Os\n0.270371 0.997558 0.762485 Os\n0.770371 0.502442 0.737515 Os\n0.729629 0.002442 0.237515 Os\n0.291416 0.706202 0.150316 Os\n0.208584 0.206202 0.650316 Os\n0.708584 0.293798 0.849684 Os\n0.791416 0.793798 0.349684 Os\n0.491495 0.600442 0.314395 Os\n0.008505 0.100442 0.814395 Os\n0.508505 0.399558 0.685605 Os\n0.991495 0.899558 0.185605 Os\n0.409485 0.565694 0.176678 Os\n0.090515 0.065694 0.676678 Os\n0.590515 0.434306 0.823322 Os\n0.909485 0.934306 0.323322 Os\n0.328644 0.501864 0.458979 C\n0.171356 0.001864 0.958979 C\n0.671356 0.498136 0.541021 C\n0.828644 0.998136 0.041021 C\n0.377770 0.322853 0.343985 C\n0.122230 0.822853 0.843985 C\n0.622230 0.677147 0.656015 C\n0.877770 0.177147 0.156015 C\n0.323432 0.248035 0.128243 C\n0.176568 0.748035 0.628243 C\n0.676568 0.751965 0.871757 C\n0.823432 0.251965 0.371757 C\n0.221646 0.366258 0.056797 C\n0.278354 0.866258 0.556797 C\n0.778354 0.633742 0.943203 C\n0.721646 0.133742 0.443203 C\n0.348085 0.447358 0.997627 C\n0.151915 0.947358 0.497627 C\n0.651915 0.552642 0.002373 C\n0.848085 0.052642 0.502373 C\n0.432578 0.857043 0.378919 C\n0.067422 0.357043 0.878919 C\n0.567422 0.142957 0.621081 C\n0.932578 0.642957 0.121081 C\n0.434651 0.904451 0.203691 C\n0.065349 0.404451 0.703691 C\n0.565349 0.095549 0.796309 C\n0.934651 0.595549 0.296309 C\n0.321766 0.916063 0.309051 C\n0.178234 0.416063 0.809051 C\n0.678234 0.083937 0.690949 C\n0.821766 0.583937 0.190949 C\n0.204086 0.600632 0.358750 C\n0.295914 0.100632 0.858750 C\n0.795914 0.399368 0.641250 C\n0.704086 0.899368 0.141250 C\n0.209278 0.326862 0.314389 C\n0.290722 0.826862 0.814389 C\n0.790722 0.673138 0.685611 C\n0.709278 0.173138 0.185611 C\n0.147557 0.509562 0.204414 C\n0.352443 0.009562 0.704414 C\n0.852443 0.490438 0.795586 C\n0.647557 0.990438 0.295586 C\n0.335965 0.827491 0.073631 C\n0.164035 0.327491 0.573631 C\n0.664035 0.172509 0.926369 C\n0.835965 0.672509 0.426369 C\n0.226463 0.822249 0.194423 C\n0.273537 0.322249 0.694423 C\n0.773537 0.177751 0.805577 C\n0.726463 0.677751 0.305577 C\n0.235176 0.666292 0.056823 C\n0.264824 0.166292 0.556823 C\n0.764824 0.333708 0.943177 C\n0.735176 0.833708 0.443177 C\n0.542636 0.443115 0.321410 C\n0.957364 0.943115 0.821410 C\n0.457364 0.556885 0.678590 C\n0.042636 0.056885 0.178590 C\n0.532124 0.667344 0.413997 C\n0.967876 0.167344 0.913997 C\n0.467876 0.332656 0.586003 C\n0.032124 0.832656 0.086003 C\n0.546300 0.693085 0.236061 C\n0.953700 0.193085 0.736061 C\n0.453700 0.306915 0.763939 C\n0.046300 0.806915 0.263939 C\n0.458804 0.404709 0.169628 C\n0.041196 0.904709 0.669628 C\n0.541196 0.595291 0.830372 C\n0.958804 0.095291 0.330372 C\n0.456057 0.643908 0.081840 C\n0.043943 0.143908 0.581840 C\n0.543943 0.356092 0.918160 C\n0.956057 0.856092 0.418160 C\n0.320736 0.525142 0.221673 C\n0.179264 0.025142 0.721673 C\n0.679264 0.474858 0.778327 C\n0.820736 0.974858 0.278327 C\n0.306270 0.496036 0.527936 O\n0.193730 0.996036 0.027936 O\n0.693730 0.503964 0.472064 O\n0.806270 0.003964 0.972064 O\n0.390988 0.209631 0.336743 O\n0.109012 0.709631 0.836743 O\n0.609012 0.790369 0.663257 O\n0.890988 0.290369 0.163257 O\n0.335566 0.136321 0.144302 O\n0.164434 0.636321 0.644302 O\n0.664434 0.863679 0.855698 O\n0.835566 0.363679 0.355698 O\n0.174852 0.324042 0.026425 O\n0.325148 0.824042 0.526425 O\n0.825148 0.675958 0.973575 O\n0.674852 0.175958 0.473575 O\n0.374891 0.460109 0.932531 O\n0.125109 0.960109 0.432531 O\n0.625109 0.539891 0.067469 O\n0.874891 0.039891 0.567469 O\n0.455528 0.914323 0.435571 O\n0.044472 0.414323 0.935571 O\n0.544472 0.085677 0.564429 O\n0.955528 0.585677 0.064429 O\n0.465670 0.971864 0.157932 O\n0.034330 0.471864 0.657932 O\n0.534330 0.028136 0.842068 O\n0.965670 0.528136 0.342068 O\n0.285180 0.996203 0.331851 O\n0.214820 0.496203 0.831851 O\n0.714820 0.003797 0.668149 O\n0.785180 0.503797 0.168149 O\n0.191318 0.664267 0.418326 O\n0.308682 0.164267 0.918326 O\n0.808682 0.335733 0.581674 O\n0.691318 0.835733 0.081674 O\n0.197376 0.223676 0.346744 O\n0.302624 0.723676 0.846744 O\n0.802624 0.776324 0.653256 O\n0.697376 0.276324 0.153256 O\n0.098181 0.517837 0.169596 O\n0.401819 0.017837 0.669596 O\n0.901819 0.482163 0.830404 O\n0.598181 0.982163 0.330404 O\n0.360276 0.900056 0.024230 O\n0.139724 0.400056 0.524230 O\n0.639724 0.099944 0.975770 O\n0.860276 0.599944 0.475770 O\n0.185226 0.892766 0.216425 O\n0.314774 0.392766 0.716425 O\n0.814774 0.107234 0.783575 O\n0.685226 0.607234 0.283575 O\n0.198797 0.665116 0.999692 O\n0.301203 0.165116 0.499692 O\n0.801203 0.334884 0.000308 O\n0.698797 0.834884 0.500308 O\n0.573622 0.345938 0.324067 O\n0.926378 0.845938 0.824067 O\n0.426378 0.654062 0.675933 O\n0.073622 0.154062 0.175933 O\n0.557620 0.711535 0.473700 O\n0.942380 0.211535 0.973700 O\n0.442380 0.288465 0.526300 O\n0.057620 0.788465 0.026300 O\n0.579551 0.752796 0.189083 O\n0.920449 0.252796 0.689083 O\n0.420449 0.247204 0.810917 O\n0.079551 0.747204 0.310917 O\n0.486055 0.302753 0.165988 O\n0.013945 0.802753 0.665988 O\n0.513945 0.697247 0.834012 O\n0.986055 0.197247 0.334012 O\n0.483967 0.691147 0.023730 O\n0.016033 0.191147 0.523730 O\n0.516033 0.308853 0.976270 O\n0.983967 0.808853 0.476270 O\n",
            "nsites": 188,
            "nelements": 4,
            "elements": [
                "H",
                "Os",
                "C",
                "O"
            ],
            "chemical_system": "C-H-O-Os",
            "density": 3.8733347321805085,
            "density_atomic": 0.0584132059778552,
            "volume": 3218.4502948061427,
            "volume_molar": 10.309553566162812,
            "formula_full": "H4 Os28 C80 O76",
            "formula_reduced": "HOs7C20O19",
            "formula_anonymous": "AB7C19D20",
            "energy": -1598.38558294,
            "energy_per_atom": -8.502050973085106,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1546.17358294,
            "band_gap": 0.6607000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.999948,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:53.797000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1199711",
            "created_at": "2022-09-04T14:47:30.689089Z",
            "structure_string": "Si72 O116\n1.0\n-0.065724 0.000000 -14.441575\n0.000000 -13.966019 0.000000\n-18.537435 0.000000 -4.466356\nSi O\n72 116\ndirect\n0.217706 -0.000000 0.282932 Si\n0.782294 -0.000000 0.717068 Si\n0.998882 -0.000000 0.374033 Si\n0.001118 -0.000000 0.625967 Si\n0.033089 0.803466 0.421464 Si\n0.033089 0.196534 0.421464 Si\n0.966911 0.196534 0.578536 Si\n0.966911 0.803466 0.578536 Si\n0.033317 0.710030 0.269195 Si\n0.033317 0.289970 0.269195 Si\n0.966683 0.289970 0.730805 Si\n0.966683 0.710030 0.730805 Si\n0.057593 0.500000 0.220054 Si\n0.942407 0.500000 0.779946 Si\n0.237804 0.789232 0.222550 Si\n0.237804 0.210768 0.222550 Si\n0.762196 0.210768 0.777450 Si\n0.762196 0.789232 0.777450 Si\n0.386330 0.690911 0.101665 Si\n0.386330 0.309089 0.101665 Si\n0.613670 0.309089 0.898335 Si\n0.613670 0.690911 0.898335 Si\n0.317961 -0.000000 0.412752 Si\n0.682039 0.000000 0.587248 Si\n0.683137 0.000000 0.241239 Si\n0.316863 -0.000000 0.758761 Si\n0.677787 0.792605 0.181783 Si\n0.677787 0.207396 0.181783 Si\n0.322213 0.207396 0.818217 Si\n0.322213 0.792605 0.818217 Si\n0.614341 0.691425 0.065138 Si\n0.614341 0.308575 0.065138 Si\n0.385659 0.308575 0.934862 Si\n0.385659 0.691425 0.934862 Si\n0.543897 0.000000 0.393500 Si\n0.456103 -0.000000 0.606500 Si\n0.584093 0.794540 0.436463 Si\n0.584093 0.205460 0.436463 Si\n0.415907 0.205460 0.563537 Si\n0.415907 0.794540 0.563537 Si\n0.527518 0.705593 0.304838 Si\n0.527518 0.294407 0.304838 Si\n0.472482 0.294407 0.695162 Si\n0.472482 0.705593 0.695162 Si\n0.676962 0.500000 0.124448 Si\n0.323038 0.500000 0.875552 Si\n0.509180 0.500000 0.269198 Si\n0.490820 0.500000 0.730802 Si\n0.224241 0.795849 0.454989 Si\n0.224241 0.204151 0.454989 Si\n0.775759 0.204151 0.545011 Si\n0.775759 0.795849 0.545011 Si\n0.806266 0.000000 0.354272 Si\n0.193734 0.000000 0.645728 Si\n0.795741 0.799305 0.410344 Si\n0.795741 0.200695 0.410344 Si\n0.204259 0.200695 0.589656 Si\n0.204259 0.799305 0.589656 Si\n0.827112 0.697522 0.266932 Si\n0.827112 0.302478 0.266932 Si\n0.172888 0.302478 0.733068 Si\n0.172888 0.697522 0.733068 Si\n0.847568 0.500000 0.212989 Si\n0.152432 0.500000 0.787011 Si\n0.307527 0.678451 0.349944 Si\n0.307527 0.321549 0.349944 Si\n0.692473 0.321549 0.650056 Si\n0.692473 0.678451 0.650056 Si\n0.285403 0.500000 0.181442 Si\n0.714597 0.500000 0.818558 Si\n0.333850 0.500000 0.299135 Si\n0.666150 0.500000 0.700865 Si\n0.238293 0.096087 0.234901 O\n0.238293 0.903913 0.234901 O\n0.761707 0.903913 0.765099 O\n0.761707 0.096087 0.765099 O\n0.105736 0.000000 0.324556 O\n0.894264 -0.000000 0.675444 O\n0.290226 0.000000 0.335670 O\n0.709774 0.000000 0.664330 O\n0.924043 0.000000 0.322666 O\n0.075957 0.000000 0.677334 O\n0.977641 0.094114 0.426315 O\n0.977641 0.905886 0.426315 O\n0.022359 0.905886 0.573685 O\n0.022359 0.094114 0.573685 O\n0.145719 0.825312 0.407788 O\n0.145719 0.174688 0.407788 O\n0.854281 0.174688 0.592212 O\n0.854281 0.825312 0.592212 O\n-0.000000 0.748776 0.500000 O\n-0.000000 0.251224 0.500000 O\n0.013360 0.742244 0.354313 O\n0.013360 0.257756 0.354313 O\n0.986640 0.257756 0.645687 O\n0.986640 0.742244 0.645687 O\n0.939712 0.737066 0.238376 O\n0.939712 0.262934 0.238376 O\n0.060288 0.262934 0.761624 O\n0.060288 0.737066 0.761624 O\n0.129026 0.758343 0.217969 O\n0.129026 0.241657 0.217969 O\n0.870974 0.241657 0.782031 O\n0.870974 0.758343 0.782031 O\n0.042511 0.594047 0.271929 O\n0.042511 0.405953 0.271929 O\n0.957489 0.405953 0.728071 O\n0.957489 0.594047 0.728071 O\n0.969024 0.500000 0.176796 O\n0.030976 0.500000 0.823204 O\n0.171081 0.500000 0.176640 O\n0.828919 0.500000 0.823360 O\n0.258053 0.720860 0.286792 O\n0.258053 0.279140 0.286792 O\n0.741947 0.279140 0.713208 O\n0.741947 0.720860 0.713208 O\n0.322944 0.774591 0.150351 O\n0.322944 0.225409 0.150351 O\n0.677056 0.225409 0.849649 O\n0.677056 0.774591 0.849649 O\n0.375770 0.709014 0.020041 O\n0.375770 0.290986 0.020041 O\n0.624230 0.290986 0.979959 O\n0.624230 0.709014 0.979959 O\n0.499286 0.690933 0.103845 O\n0.499286 0.309067 0.103845 O\n0.500714 0.309067 0.896155 O\n0.500714 0.690933 0.896155 O\n0.338076 0.590950 0.134947 O\n0.338076 0.409050 0.134947 O\n0.661924 0.409050 0.865053 O\n0.661924 0.590950 0.865053 O\n0.431509 -0.000000 0.401700 O\n0.568491 -0.000000 0.598300 O\n0.281118 0.099635 0.455121 O\n0.281118 0.900365 0.455121 O\n0.718882 0.900365 0.544879 O\n0.718882 0.099635 0.544879 O\n0.588215 -0.000000 0.307318 O\n0.411785 0.000000 0.692682 O\n0.683123 0.907068 0.191048 O\n0.683123 0.092932 0.191048 O\n0.316877 0.092932 0.808952 O\n0.316877 0.907068 0.808952 O\n0.775611 0.000000 0.275998 O\n0.224389 -0.000000 0.724002 O\n0.765898 0.743353 0.210408 O\n0.765898 0.256647 0.210408 O\n0.234102 0.256647 0.789592 O\n0.234102 0.743353 0.789592 O\n0.674591 0.773014 0.097861 O\n0.674591 0.226986 0.097861 O\n0.325409 0.226986 0.902139 O\n0.325409 0.773014 0.902139 O\n0.574942 0.748841 0.225932 O\n0.574942 0.251159 0.225932 O\n0.425058 0.251159 0.774068 O\n0.425058 0.748841 0.774068 O\n0.670103 0.592601 0.074668 O\n0.670103 0.407399 0.074668 O\n0.329897 0.407399 0.925332 O\n0.329897 0.592601 0.925332 O\n0.578675 0.909868 0.434421 O\n0.578675 0.090132 0.434421 O\n0.421325 0.090132 0.565579 O\n0.421325 0.909868 0.565579 O\n0.584149 0.756209 0.357599 O\n0.584149 0.243791 0.357599 O\n0.415851 0.243791 0.642401 O\n0.415851 0.756209 0.642401 O\n0.500000 0.749870 0.500000 O\n0.500000 0.250130 0.500000 O\n0.684888 0.759250 0.449623 O\n0.684888 0.240750 0.449623 O\n0.315112 0.240750 0.550377 O\n0.315112 0.759250 0.550377 O\n0.414757 0.728574 0.331114 O\n0.414757 0.271426 0.331114 O\n0.585243 0.271426 0.668886 O\n0.585243 0.728574 0.668886 O\n0.544010 0.591511 0.309953 O\n0.544010 0.408489 0.309953 O\n0.455990 0.408489 0.690047 O\n0.455990 0.591511 0.690047 O\n0.777473 0.500000 0.152972 O\n0.222527 0.500000 0.847028 O\n0.577999 0.500000 0.187642 O\n0.422001 0.500000 0.812358 O\n",
            "nsites": 188,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.7242737565230886,
            "density_atomic": 0.05033817770380654,
            "volume": 3734.739884828679,
            "volume_molar": 11.963366642778988,
            "formula_full": "Si72 O116",
            "formula_reduced": "Si18O29",
            "formula_anonymous": "A18B29",
            "energy": -1493.68675838,
            "energy_per_atom": -7.94514233180851,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1413.99475838,
            "band_gap": 0.0972000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.6956549,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:13.809000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-720469",
            "created_at": "2022-09-04T14:45:40.215331Z",
            "structure_string": "H24 Os20 Pt8 C68 O68\n1.0\n16.410711 0.000000 0.000000\n0.000000 9.701483 0.000000\n0.000000 0.402680 19.553079\nH Os Pt C O\n24 20 8 68 68\ndirect\n0.595028 0.559000 0.086797 H\n0.904972 0.059000 0.586797 H\n0.404972 0.441000 0.913203 H\n0.095028 0.941000 0.413203 H\n0.452681 0.482789 0.130580 H\n0.047319 0.982789 0.630580 H\n0.547319 0.517211 0.869420 H\n0.952681 0.017211 0.369420 H\n0.562851 0.299364 0.080612 H\n0.937149 0.799364 0.580612 H\n0.437149 0.700636 0.919388 H\n0.062851 0.200636 0.419388 H\n0.631332 0.230836 0.261281 H\n0.868668 0.730836 0.761281 H\n0.368668 0.769164 0.738719 H\n0.131332 0.269164 0.238719 H\n0.654804 0.522318 0.276257 H\n0.845196 0.022318 0.776257 H\n0.345196 0.477682 0.723743 H\n0.154804 0.977682 0.223743 H\n0.714240 0.312951 0.340197 H\n0.785760 0.812951 0.840197 H\n0.285760 0.687049 0.659803 H\n0.214240 0.187049 0.159803 H\n0.647996 0.399587 0.111434 Os\n0.852004 0.899587 0.611434 Os\n0.352004 0.600413 0.888566 Os\n0.147996 0.100413 0.388566 Os\n0.531025 0.599049 0.158998 Os\n0.968975 0.099049 0.658998 Os\n0.468975 0.400951 0.841002 Os\n0.031025 0.900951 0.341002 Os\n0.485505 0.304301 0.147294 Os\n0.014495 0.804301 0.647294 Os\n0.514495 0.695699 0.852706 Os\n0.985505 0.195699 0.352706 Os\n0.631848 0.190504 0.351832 Os\n0.868152 0.690504 0.851832 Os\n0.368152 0.809496 0.648168 Os\n0.131848 0.309496 0.148168 Os\n0.682506 0.483417 0.365944 Os\n0.817494 0.983417 0.865944 Os\n0.317494 0.516583 0.634056 Os\n0.182506 0.016583 0.134056 Os\n0.592275 0.395608 0.244381 Pt\n0.907725 0.895608 0.744381 Pt\n0.407725 0.604392 0.755619 Pt\n0.092275 0.104392 0.255619 Pt\n0.527198 0.394540 0.390374 Pt\n0.972802 0.894540 0.890374 Pt\n0.472802 0.605460 0.609626 Pt\n0.027198 0.105460 0.109626 Pt\n0.436324 0.279242 0.413393 C\n0.063676 0.779242 0.913393 C\n0.563676 0.720758 0.586607 C\n0.936324 0.220758 0.086607 C\n0.487576 0.573465 0.412463 C\n0.012424 0.073465 0.912463 C\n0.512424 0.426535 0.587537 C\n0.987576 0.926535 0.087537 C\n0.683916 0.402196 0.018955 C\n0.816084 0.902196 0.518955 C\n0.316084 0.597804 0.981045 C\n0.183916 0.097804 0.481045 C\n0.698690 0.225370 0.130258 C\n0.801310 0.725370 0.630258 C\n0.301310 0.774630 0.869742 C\n0.198690 0.274630 0.369742 C\n0.741919 0.499565 0.140823 C\n0.758081 0.999565 0.640823 C\n0.258081 0.500435 0.859177 C\n0.241919 0.000435 0.359177 C\n0.483573 0.727012 0.094741 C\n0.016427 0.227012 0.594741 C\n0.516427 0.272988 0.905259 C\n0.983573 0.772988 0.405259 C\n0.456863 0.641891 0.231021 C\n0.043137 0.141891 0.731021 C\n0.543137 0.358109 0.768979 C\n0.956863 0.858109 0.268979 C\n0.611960 0.724535 0.189833 C\n0.888040 0.224535 0.689833 C\n0.388040 0.275465 0.810167 C\n0.111960 0.775465 0.310167 C\n0.517438 0.116756 0.160302 C\n0.982562 0.616756 0.660302 C\n0.482562 0.883244 0.839698 C\n0.017438 0.383244 0.339698 C\n0.408860 0.289719 0.220424 C\n0.091140 0.789719 0.720424 C\n0.591140 0.710281 0.779576 C\n0.908860 0.210281 0.279576 C\n0.408689 0.271059 0.075743 C\n0.091311 0.771059 0.575743 C\n0.591311 0.728941 0.924257 C\n0.908689 0.228941 0.424257 C\n0.641785 0.139085 0.446812 C\n0.858215 0.639085 0.946812 C\n0.358215 0.860915 0.553188 C\n0.141785 0.360915 0.053188 C\n0.714027 0.063161 0.322887 C\n0.785973 0.563161 0.822887 C\n0.285973 0.936839 0.677113 C\n0.214027 0.436839 0.177113 C\n0.544089 0.065658 0.338409 C\n0.955911 0.565658 0.838409 C\n0.455911 0.934342 0.661591 C\n0.044089 0.434342 0.161591 C\n0.651602 0.671265 0.372635 C\n0.848398 0.171265 0.872635 C\n0.348398 0.328735 0.627365 C\n0.151602 0.828735 0.127365 C\n0.702114 0.463961 0.462442 C\n0.797886 0.963961 0.962442 C\n0.297886 0.536039 0.537558 C\n0.202114 0.036039 0.037558 C\n0.792265 0.525784 0.339294 C\n0.707735 0.025784 0.839294 C\n0.207735 0.474216 0.660706 C\n0.292265 0.974216 0.160706 C\n0.382275 0.216189 0.435750 O\n0.117725 0.716189 0.935750 O\n0.617725 0.783811 0.564250 O\n0.882275 0.283811 0.064250 O\n0.463373 0.681197 0.426642 O\n0.036627 0.181197 0.926642 O\n0.536627 0.318803 0.573358 O\n0.963373 0.818803 0.073358 O\n0.706749 0.402234 0.962593 O\n0.793251 0.902234 0.462593 O\n0.293251 0.597766 0.037407 O\n0.206749 0.097766 0.537407 O\n0.725802 0.118178 0.143650 O\n0.774198 0.618178 0.643650 O\n0.274198 0.881822 0.856350 O\n0.225802 0.381822 0.356350 O\n0.798288 0.556980 0.161422 O\n0.701712 0.056980 0.661422 O\n0.201712 0.443020 0.838578 O\n0.298288 0.943020 0.338578 O\n0.456577 0.806834 0.055689 O\n0.043423 0.306834 0.555689 O\n0.543423 0.193166 0.944311 O\n0.956577 0.693166 0.444311 O\n0.410254 0.663898 0.273844 O\n0.089746 0.163898 0.773844 O\n0.589746 0.336102 0.726156 O\n0.910254 0.836102 0.226156 O\n0.662498 0.797871 0.208669 O\n0.837502 0.297871 0.708669 O\n0.337502 0.202129 0.791331 O\n0.162498 0.702129 0.291331 O\n0.541081 0.004748 0.166538 O\n0.958919 0.504748 0.666538 O\n0.458919 0.995252 0.833462 O\n0.041081 0.495252 0.333462 O\n0.364417 0.273723 0.266023 O\n0.135583 0.773723 0.766023 O\n0.635583 0.726277 0.733977 O\n0.864417 0.226277 0.233977 O\n0.361774 0.250113 0.032585 O\n0.138226 0.750113 0.532585 O\n0.638226 0.749887 0.967415 O\n0.861774 0.249887 0.467415 O\n0.648579 0.101205 0.503350 O\n0.851421 0.601205 0.003350 O\n0.351421 0.898795 0.496650 O\n0.148579 0.398795 0.996650 O\n0.764492 0.987440 0.305757 O\n0.735508 0.487440 0.805757 O\n0.235508 0.012560 0.694243 O\n0.264492 0.512560 0.194243 O\n0.489791 0.992245 0.328025 O\n0.010209 0.492245 0.828025 O\n0.510209 0.007755 0.671975 O\n0.989791 0.507755 0.171975 O\n0.630964 0.785874 0.374153 O\n0.869036 0.285874 0.874153 O\n0.369036 0.214126 0.625847 O\n0.130964 0.714126 0.125847 O\n0.712253 0.460220 0.521268 O\n0.787747 0.960220 0.021268 O\n0.287747 0.539780 0.478732 O\n0.212253 0.039780 0.978732 O\n0.858182 0.554497 0.322390 O\n0.641818 0.054497 0.822390 O\n0.141818 0.445503 0.677610 O\n0.358182 0.945503 0.177610 O\n",
            "nsites": 188,
            "nelements": 5,
            "elements": [
                "H",
                "Os",
                "Pt",
                "C",
                "O"
            ],
            "chemical_system": "C-H-O-Os-Pt",
            "density": 3.8908372948866976,
            "density_atomic": 0.06039168816755043,
            "volume": 3113.011172637096,
            "volume_molar": 9.971803972911305,
            "formula_full": "H24 Os20 Pt8 C68 O68",
            "formula_reduced": "H6Os5Pt2(CO)17",
            "formula_anonymous": "A2B5C6D17E17",
            "energy": -1468.99826412,
            "energy_per_atom": -7.813820553829787,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1422.28226412,
            "band_gap": 1.7221000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.002486,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:16.440000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-867517",
            "created_at": "2022-09-04T14:39:31.882305Z",
            "structure_string": "V8 Sn16 H96 C32 O36\n1.0\n12.849004 0.000000 0.000000\n0.000000 13.565765 0.000000\n0.000000 0.000000 13.716361\nV Sn H C O\n8 16 96 32 36\ndirect\n0.476454 0.748332 0.369871 V\n0.523546 0.748332 0.630129 V\n0.976454 0.751668 0.130129 V\n0.023546 0.751668 0.869871 V\n0.523546 0.251668 0.630129 V\n0.476454 0.251668 0.369871 V\n0.023546 0.248332 0.869871 V\n0.976454 0.248332 0.130129 V\n0.130084 0.500000 0.214869 Sn\n0.869916 0.500000 0.785131 Sn\n0.630084 0.000000 0.285131 Sn\n0.369916 0.000000 0.714869 Sn\n0.377814 0.500000 0.301833 Sn\n0.622186 0.500000 0.698167 Sn\n0.877814 0.000000 0.198167 Sn\n0.122186 0.000000 0.801833 Sn\n0.207842 0.743860 0.269326 Sn\n0.792158 0.743860 0.730674 Sn\n0.707842 0.756140 0.230674 Sn\n0.292158 0.756140 0.769326 Sn\n0.792158 0.256140 0.730674 Sn\n0.207842 0.256140 0.269326 Sn\n0.292158 0.243860 0.769326 Sn\n0.707842 0.243860 0.230674 Sn\n0.229639 0.500000 0.042460 H\n0.770361 0.500000 0.957540 H\n0.729639 0.000000 0.457540 H\n0.270361 0.000000 0.542460 H\n0.110350 0.566657 0.029586 H\n0.889650 0.566657 0.970414 H\n0.610350 0.933343 0.470414 H\n0.389650 0.933343 0.529586 H\n0.889650 0.433343 0.970414 H\n0.110350 0.433343 0.029586 H\n0.389650 0.066657 0.529586 H\n0.610350 0.066657 0.470414 H\n0.050695 0.500000 0.396866 H\n0.949305 0.500000 0.603134 H\n0.550695 0.000000 0.103134 H\n0.449305 0.000000 0.896866 H\n0.964672 0.433521 0.317463 H\n0.035328 0.433521 0.682537 H\n0.464672 0.066479 0.182537 H\n0.535328 0.066479 0.817463 H\n0.035328 0.566479 0.682537 H\n0.964672 0.566479 0.317463 H\n0.535328 0.933521 0.817463 H\n0.464672 0.933521 0.182537 H\n0.376479 0.500000 0.104083 H\n0.623521 0.500000 0.895917 H\n0.876479 0.000000 0.395917 H\n0.123521 0.000000 0.604083 H\n0.488206 0.434213 0.147405 H\n0.511794 0.434213 0.852595 H\n0.988206 0.065787 0.352595 H\n0.011794 0.065787 0.647405 H\n0.511794 0.565787 0.852595 H\n0.488206 0.565787 0.147405 H\n0.011794 0.934213 0.647405 H\n0.988206 0.934213 0.352595 H\n0.263773 0.500000 0.467418 H\n0.736227 0.500000 0.532582 H\n0.763773 0.000000 0.032582 H\n0.236227 0.000000 0.967418 H\n0.383294 0.565859 0.487443 H\n0.616706 0.565859 0.512557 H\n0.883294 0.934141 0.012557 H\n0.116706 0.934141 0.987443 H\n0.616706 0.434141 0.512557 H\n0.383294 0.434141 0.487443 H\n0.116706 0.065859 0.987443 H\n0.883294 0.065859 0.012557 H\n0.304331 0.771629 0.097103 H\n0.695669 0.771629 0.902897 H\n0.804331 0.728371 0.402897 H\n0.195669 0.728371 0.597103 H\n0.695669 0.228371 0.902897 H\n0.304331 0.228371 0.097103 H\n0.195669 0.271629 0.597103 H\n0.804331 0.271629 0.402897 H\n0.306671 0.885043 0.164324 H\n0.693329 0.885043 0.835676 H\n0.806671 0.614957 0.335676 H\n0.193329 0.614957 0.664324 H\n0.693329 0.114957 0.835676 H\n0.306671 0.114957 0.164324 H\n0.193329 0.385043 0.664324 H\n0.806671 0.385043 0.335676 H\n0.191041 0.848624 0.101107 H\n0.808959 0.848624 0.898893 H\n0.691041 0.651376 0.398893 H\n0.308959 0.651376 0.601107 H\n0.808959 0.151376 0.898893 H\n0.191041 0.151376 0.101107 H\n0.308959 0.348624 0.601107 H\n0.691041 0.348624 0.398893 H\n0.110693 0.713831 0.441736 H\n0.889307 0.713831 0.558264 H\n0.610693 0.786169 0.058264 H\n0.389307 0.786169 0.941736 H\n0.889307 0.286169 0.558264 H\n0.110693 0.286169 0.441736 H\n0.389307 0.213831 0.941736 H\n0.610693 0.213831 0.058264 H\n0.037973 0.802041 0.373171 H\n0.962027 0.802041 0.626829 H\n0.537973 0.697959 0.126829 H\n0.462027 0.697959 0.873171 H\n0.962027 0.197959 0.626829 H\n0.037973 0.197959 0.373171 H\n0.462027 0.302041 0.873171 H\n0.537973 0.302041 0.126829 H\n0.154251 0.839379 0.435964 H\n0.845749 0.839379 0.564036 H\n0.654251 0.660621 0.064036 H\n0.345749 0.660621 0.935964 H\n0.845749 0.160621 0.564036 H\n0.154251 0.160621 0.435964 H\n0.345749 0.339379 0.935964 H\n0.654251 0.339379 0.064036 H\n0.146301 0.500000 0.059293 C\n0.853699 0.500000 0.940707 C\n0.646301 0.000000 0.440707 C\n0.353699 0.000000 0.559293 C\n0.012056 0.500000 0.325633 C\n0.987944 0.500000 0.674367 C\n0.512056 0.000000 0.174367 C\n0.487944 0.000000 0.825633 C\n0.440307 0.500000 0.156732 C\n0.559693 0.500000 0.843268 C\n0.940307 0.000000 0.343268 C\n0.059693 0.000000 0.656732 C\n0.348022 0.500000 0.455484 C\n0.651978 0.500000 0.544516 C\n0.848022 0.000000 0.044516 C\n0.151978 0.000000 0.955484 C\n0.258459 0.822421 0.142035 C\n0.741541 0.822421 0.857965 C\n0.758459 0.677579 0.357965 C\n0.241541 0.677579 0.642035 C\n0.741541 0.177579 0.857965 C\n0.258459 0.177579 0.142035 C\n0.241541 0.322421 0.642035 C\n0.758459 0.322421 0.357965 C\n0.116092 0.779715 0.395707 C\n0.883908 0.779715 0.604293 C\n0.616092 0.720285 0.104293 C\n0.383908 0.720285 0.895707 C\n0.883908 0.220285 0.604293 C\n0.116092 0.220285 0.395707 C\n0.383908 0.279715 0.895707 C\n0.616092 0.279715 0.104293 C\n0.246909 0.597890 0.265303 O\n0.753091 0.597890 0.734697 O\n0.746909 0.902110 0.234697 O\n0.253091 0.902110 0.765303 O\n0.753091 0.402110 0.734697 O\n0.246909 0.402110 0.265303 O\n0.253091 0.097890 0.765303 O\n0.746909 0.097890 0.234697 O\n0.351004 0.784175 0.345386 O\n0.648996 0.784175 0.654614 O\n0.851004 0.715825 0.154614 O\n0.148996 0.715825 0.845386 O\n0.648996 0.215825 0.654614 O\n0.351004 0.215825 0.345386 O\n0.148996 0.284175 0.845386 O\n0.851004 0.284175 0.154614 O\n0.492502 0.630825 0.330965 O\n0.507498 0.630825 0.669035 O\n0.992502 0.869175 0.169035 O\n0.007498 0.869175 0.830965 O\n0.507498 0.369175 0.669035 O\n0.492502 0.369175 0.330965 O\n0.007498 0.130825 0.830965 O\n0.992502 0.130825 0.169035 O\n0.567827 0.821711 0.308070 O\n0.432173 0.821711 0.691930 O\n0.067827 0.678289 0.191930 O\n0.932173 0.678289 0.808070 O\n0.432173 0.178289 0.691930 O\n0.567827 0.178289 0.308070 O\n0.932173 0.321711 0.808070 O\n0.067827 0.321711 0.191930 O\n0.500000 0.756584 0.500000 O\n0.000000 0.743416 0.000000 O\n0.500000 0.243416 0.500000 O\n0.000000 0.256584 0.000000 O\n",
            "nsites": 188,
            "nelements": 5,
            "elements": [
                "V",
                "Sn",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-O-Sn-V",
            "density": 2.3364107814941835,
            "density_atomic": 0.07863306219983024,
            "volume": 2390.851821619709,
            "volume_molar": 7.658535216008669,
            "formula_full": "V8 Sn16 H96 C32 O36",
            "formula_reduced": "V2Sn4H24C8O9",
            "formula_anonymous": "A2B4C8D9E24",
            "energy": -1068.09469744,
            "energy_per_atom": -5.681354773617021,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1029.76269744,
            "band_gap": 3.1644,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0031013,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:39.127000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-680169",
            "created_at": "2022-09-04T14:41:13.120212Z",
            "structure_string": "Na63 S21 Cl3 O84 F18\n1.0\n6.169115 -10.685221 0.000000\n6.169115 10.685221 0.000000\n0.000000 0.000000 19.572280\nNa S Cl O F\n63 21 3 84 18\ndirect\n0.664321 0.510768 0.934030 Na\n0.000000 0.823406 0.095972 Na\n0.000000 0.189128 0.928854 Na\n0.521345 0.852479 0.103081 Na\n0.000000 0.177711 0.647591 Na\n0.840909 0.174444 0.515374 Na\n0.825556 0.666466 0.515374 Na\n0.822289 0.822289 0.647591 Na\n0.000000 0.487624 0.792278 Na\n0.333534 0.159091 0.515374 Na\n0.668866 0.147521 0.103081 Na\n0.486615 0.152851 0.653395 Na\n0.518432 0.850296 0.384889 Na\n0.849482 0.183233 0.794046 Na\n0.513385 0.666236 0.653395 Na\n0.176594 0.176594 0.095972 Na\n0.823406 0.000000 0.095972 Na\n0.147521 0.668866 0.103081 Na\n0.332683 0.180345 0.238673 Na\n0.668135 0.149704 0.384889 Na\n0.159091 0.333534 0.515374 Na\n0.180345 0.332683 0.238673 Na\n0.153553 0.489232 0.934030 Na\n0.189128 0.000000 0.928854 Na\n0.517334 0.000000 0.235745 Na\n0.850296 0.518432 0.384889 Na\n0.000000 0.815840 0.379052 Na\n0.183233 0.849482 0.794046 Na\n0.510768 0.664321 0.934030 Na\n0.666249 0.816767 0.794046 Na\n0.515689 0.000000 0.517329 Na\n0.177711 0.000000 0.647591 Na\n0.816767 0.666249 0.794046 Na\n0.150518 0.333751 0.794046 Na\n0.847149 0.333764 0.653395 Na\n0.852479 0.521345 0.103081 Na\n0.000000 0.515689 0.517329 Na\n0.333764 0.847149 0.653395 Na\n0.484311 0.484311 0.517329 Na\n0.512376 0.512376 0.792278 Na\n0.149704 0.668135 0.384889 Na\n0.478655 0.331134 0.103081 Na\n0.184160 0.184160 0.379052 Na\n0.666466 0.825556 0.515374 Na\n0.152338 0.819655 0.238673 Na\n0.846447 0.335679 0.934030 Na\n0.331865 0.481568 0.384889 Na\n0.819655 0.152338 0.238673 Na\n0.667317 0.847662 0.238673 Na\n0.815840 0.000000 0.379052 Na\n0.333751 0.150518 0.794046 Na\n0.335679 0.846447 0.934030 Na\n0.331134 0.478655 0.103081 Na\n0.666236 0.513385 0.653395 Na\n0.810872 0.810872 0.928854 Na\n0.847662 0.667317 0.238673 Na\n0.174444 0.840909 0.515374 Na\n0.489232 0.153553 0.934030 Na\n0.482666 0.482666 0.235745 Na\n0.000000 0.517334 0.235745 Na\n0.481568 0.331865 0.384889 Na\n0.152851 0.486615 0.653395 Na\n0.487624 0.000000 0.792278 Na\n0.000000 0.666966 0.938930 S\n0.000000 0.334523 0.093901 S\n0.666667 0.333333 0.526779 S\n0.333333 0.666667 0.255504 S\n0.663506 0.663506 0.368348 S\n0.666667 0.333333 0.255504 S\n0.000000 0.000000 0.780567 S\n0.000000 0.000000 0.506844 S\n0.330257 0.330257 0.666480 S\n0.669743 0.000000 0.666480 S\n0.336494 0.000000 0.368348 S\n0.333333 0.666667 0.526779 S\n0.000000 0.669743 0.666480 S\n0.666966 0.000000 0.938930 S\n0.333034 0.333034 0.938930 S\n0.000000 0.336494 0.368348 S\n0.334523 0.000000 0.093901 S\n0.333333 0.666667 0.795413 S\n0.666667 0.333333 0.795413 S\n0.000000 0.000000 0.238317 S\n0.665477 0.665477 0.093901 S\n0.333333 0.666667 0.030085 Cl\n0.666667 0.333333 0.030085 Cl\n0.000000 0.000000 0.000434 Cl\n0.000000 0.885679 0.263716 O\n0.886245 0.219884 0.119576 O\n0.552569 0.000000 0.913625 O\n0.333333 0.666667 0.871974 O\n0.778434 0.450159 0.501951 O\n0.550591 0.550591 0.395750 O\n0.449409 0.000000 0.395750 O\n0.221079 0.885822 0.392397 O\n0.000000 0.000000 0.161809 O\n0.676069 0.000000 0.743123 O\n0.665839 0.885456 0.913029 O\n0.114352 0.000000 0.805466 O\n0.551763 0.331744 0.230191 O\n0.328275 0.549841 0.501951 O\n0.331875 0.331875 0.015491 O\n0.549841 0.328275 0.501951 O\n0.448237 0.779980 0.230191 O\n0.885679 0.000000 0.263716 O\n0.781523 0.114230 0.639027 O\n0.219617 0.334161 0.913029 O\n0.000000 0.114235 0.532153 O\n0.660580 0.660580 0.291587 O\n0.885822 0.221079 0.392397 O\n0.000000 0.676069 0.743123 O\n0.000000 0.448758 0.119923 O\n0.000000 0.668125 0.015491 O\n0.333333 0.666667 0.603596 O\n0.334161 0.219617 0.913029 O\n0.666667 0.333333 0.332632 O\n0.448758 0.000000 0.119923 O\n0.114321 0.114321 0.263716 O\n0.553623 0.000000 0.645023 O\n0.671725 0.221566 0.501951 O\n0.885770 0.667292 0.639027 O\n0.114230 0.781523 0.639027 O\n0.114178 0.335258 0.392397 O\n0.447431 0.447431 0.913625 O\n0.335222 0.000000 0.017702 O\n0.000000 0.449409 0.395750 O\n0.553044 0.218533 0.769945 O\n0.221566 0.671725 0.501951 O\n0.000000 0.552569 0.913625 O\n0.780116 0.666362 0.119576 O\n0.332708 0.218477 0.639027 O\n0.335258 0.114178 0.392397 O\n0.113755 0.333638 0.119576 O\n0.000000 0.114352 0.805466 O\n0.000000 0.339420 0.291587 O\n0.666667 0.333333 0.871974 O\n0.339420 0.000000 0.291587 O\n0.334511 0.781467 0.769945 O\n0.778921 0.664742 0.392397 O\n0.000000 0.553623 0.645023 O\n0.781467 0.334511 0.769945 O\n0.666667 0.333333 0.603596 O\n0.000000 0.000000 0.703539 O\n0.885648 0.885648 0.805466 O\n0.114235 0.000000 0.532153 O\n0.666362 0.780116 0.119576 O\n0.114544 0.780383 0.913029 O\n0.885765 0.885765 0.532153 O\n0.446377 0.446377 0.645023 O\n0.664778 0.664778 0.017702 O\n0.668125 0.000000 0.015491 O\n0.551242 0.551242 0.119923 O\n0.333333 0.666667 0.332632 O\n0.668256 0.220020 0.230191 O\n0.779980 0.448237 0.230191 O\n0.667292 0.885770 0.639027 O\n0.450159 0.778434 0.501951 O\n0.220020 0.668256 0.230191 O\n0.664742 0.778921 0.392397 O\n0.331744 0.551763 0.230191 O\n0.218533 0.553044 0.769945 O\n0.885456 0.665839 0.913029 O\n0.665489 0.446956 0.769945 O\n0.323931 0.323931 0.743123 O\n0.000000 0.000000 0.430222 O\n0.218477 0.332708 0.639027 O\n0.219884 0.886245 0.119576 O\n0.446956 0.665489 0.769945 O\n0.780383 0.114544 0.913029 O\n0.000000 0.335222 0.017702 O\n0.333638 0.113755 0.119576 O\n0.000000 0.661468 0.313115 F\n0.659813 0.659813 0.863961 F\n0.000000 0.349436 0.566496 F\n0.326042 0.000000 0.717551 F\n0.000000 0.675370 0.167392 F\n0.650564 0.650564 0.566496 F\n0.675370 0.000000 0.167392 F\n0.673958 0.673958 0.717551 F\n0.338532 0.338532 0.313115 F\n0.314830 0.314830 0.465303 F\n0.661468 0.000000 0.313115 F\n0.324630 0.324630 0.167392 F\n0.685170 0.000000 0.465303 F\n0.000000 0.326042 0.717551 F\n0.000000 0.685170 0.465303 F\n0.340187 0.000000 0.863961 F\n0.349436 0.000000 0.566496 F\n0.000000 0.340187 0.863961 F\n",
            "nsites": 189,
            "nelements": 5,
            "elements": [
                "Na",
                "S",
                "Cl",
                "O",
                "F"
            ],
            "chemical_system": "Cl-F-Na-O-S",
            "density": 2.5187911786201536,
            "density_atomic": 0.07324601697119225,
            "volume": 2580.3450865367045,
            "volume_molar": 8.221799640475352,
            "formula_full": "Na63 S21 Cl3 O84 F18",
            "formula_reduced": "Na21S7Cl(O14F3)2",
            "formula_anonymous": "AB6C7D21E28",
            "energy": -1070.87226014,
            "energy_per_atom": -5.665990794391535,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1003.00626014,
            "band_gap": 4.905,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.002531,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:22.799000Z",
            "spacegroup": 157
        },
        {
            "id": "mp-1196729",
            "created_at": "2022-09-04T14:46:52.466990Z",
            "structure_string": "P2 H60 W24 C18 N6 O80\n1.0\n9.277456 5.356342 8.280208\n-9.277456 5.356342 8.280208\n0.000000 -10.712683 8.280208\nP H W C N O\n2 60 24 18 6 80\ndirect\n0.723370 0.723370 0.723370 P\n0.276630 0.276630 0.276630 P\n0.681041 0.820777 0.313114 H\n0.820777 0.313114 0.681041 H\n0.313114 0.681041 0.820777 H\n0.318959 0.179223 0.686886 H\n0.179223 0.686886 0.318959 H\n0.686886 0.318959 0.179223 H\n0.820513 0.903101 0.238850 H\n0.903101 0.238850 0.820513 H\n0.238850 0.820513 0.903101 H\n0.179487 0.096899 0.761150 H\n0.096899 0.761150 0.179487 H\n0.761150 0.179487 0.096899 H\n0.787883 0.866593 0.119675 H\n0.866593 0.119675 0.787883 H\n0.119675 0.787883 0.866593 H\n0.212117 0.133407 0.880325 H\n0.133407 0.880325 0.212117 H\n0.880325 0.212117 0.133407 H\n0.706697 0.950017 0.188812 H\n0.950017 0.188812 0.706697 H\n0.188812 0.706697 0.950017 H\n0.293303 0.049983 0.811188 H\n0.049983 0.811188 0.293303 H\n0.811188 0.293303 0.049983 H\n0.579188 0.719414 0.231420 H\n0.719414 0.231420 0.579188 H\n0.231420 0.579188 0.719414 H\n0.420812 0.280585 0.768580 H\n0.280585 0.768580 0.420812 H\n0.768580 0.420812 0.280585 H\n0.570179 0.845135 0.180005 H\n0.845135 0.180005 0.570179 H\n0.180005 0.570179 0.845135 H\n0.429821 0.154865 0.819995 H\n0.154865 0.819995 0.429821 H\n0.819995 0.429821 0.154865 H\n0.644754 0.752001 0.115938 H\n0.752001 0.115938 0.644754 H\n0.115938 0.644754 0.752001 H\n0.355246 0.247999 0.884062 H\n0.247999 0.884062 0.355246 H\n0.884062 0.355246 0.247999 H\n0.728453 0.650622 0.297297 H\n0.650622 0.297297 0.728453 H\n0.297297 0.728453 0.650622 H\n0.271547 0.349378 0.702703 H\n0.349378 0.702703 0.271547 H\n0.702703 0.271547 0.349378 H\n0.800013 0.682429 0.185201 H\n0.682429 0.185201 0.800013 H\n0.185201 0.800013 0.682429 H\n0.199987 0.317571 0.814799 H\n0.317571 0.814799 0.199987 H\n0.814799 0.199987 0.317571 H\n0.834682 0.722484 0.301969 H\n0.722484 0.301969 0.834682 H\n0.301969 0.834682 0.722484 H\n0.165318 0.277516 0.698031 H\n0.277516 0.698031 0.165318 H\n0.698031 0.165318 0.277516 H\n0.927615 0.886291 0.707169 W\n0.886291 0.707169 0.927615 W\n0.707169 0.927615 0.886291 W\n0.072385 0.113709 0.292831 W\n0.113709 0.292831 0.072385 W\n0.292831 0.072385 0.113709 W\n0.766220 0.898933 0.515045 W\n0.898933 0.515045 0.766220 W\n0.515045 0.766220 0.898933 W\n0.233780 0.101067 0.484955 W\n0.101067 0.484955 0.233780 W\n0.484955 0.233780 0.101067 W\n0.545598 0.934052 0.694445 W\n0.934052 0.694445 0.545598 W\n0.694445 0.545598 0.934052 W\n0.454402 0.065948 0.305555 W\n0.065948 0.305555 0.454402 W\n0.305555 0.454402 0.065948 W\n0.557935 0.725598 0.522066 W\n0.725598 0.522066 0.557935 W\n0.522066 0.557935 0.725598 W\n0.442065 0.274402 0.477934 W\n0.274402 0.477934 0.442065 W\n0.477934 0.442065 0.274402 W\n0.759800 0.885780 0.194090 C\n0.885780 0.194090 0.759800 C\n0.194090 0.759800 0.885780 C\n0.240200 0.114220 0.805909 C\n0.114220 0.805909 0.240200 C\n0.805909 0.240200 0.114220 C\n0.618413 0.777713 0.188587 C\n0.777713 0.188587 0.618413 C\n0.188587 0.618413 0.777713 C\n0.381587 0.222287 0.811413 C\n0.222287 0.811413 0.381587 C\n0.811413 0.381587 0.222287 C\n0.772798 0.707355 0.257946 C\n0.707355 0.257946 0.772798 C\n0.257946 0.772798 0.707355 C\n0.227202 0.292645 0.742054 C\n0.292645 0.742054 0.227202 C\n0.742054 0.227202 0.292645 C\n0.706793 0.799883 0.243392 N\n0.799883 0.243392 0.706793 N\n0.243392 0.706793 0.799883 N\n0.293207 0.200117 0.756608 N\n0.200117 0.756608 0.293207 N\n0.756608 0.293207 0.200117 N\n0.801506 0.776352 0.654472 O\n0.776352 0.654472 0.801506 O\n0.654472 0.801506 0.776352 O\n0.198494 0.223648 0.345528 O\n0.223648 0.345528 0.198494 O\n0.345528 0.198494 0.223648 O\n0.661172 0.661172 0.661172 O\n0.338828 0.338828 0.338828 O\n0.816469 0.942916 0.788237 O\n0.942916 0.788237 0.816469 O\n0.788237 0.816469 0.942916 O\n0.183531 0.057084 0.211763 O\n0.057084 0.211763 0.183531 O\n0.211763 0.183531 0.057084 O\n0.662291 0.951564 0.604584 O\n0.951564 0.604584 0.662291 O\n0.604584 0.662291 0.951564 O\n0.337709 0.048436 0.395416 O\n0.048436 0.395416 0.337709 O\n0.395416 0.337709 0.048436 O\n0.670804 0.805092 0.480792 O\n0.805092 0.480792 0.670804 O\n0.480792 0.670804 0.805092 O\n0.329196 0.194908 0.519208 O\n0.194908 0.519208 0.329196 O\n0.519208 0.329196 0.194908 O\n0.516234 0.831006 0.609411 O\n0.831006 0.609411 0.516234 O\n0.609411 0.516234 0.831006 O\n0.483766 0.168994 0.390589 O\n0.168994 0.390589 0.483766 O\n0.390589 0.483766 0.168994 O\n0.865433 0.951335 0.592255 O\n0.951335 0.592255 0.865433 O\n0.592255 0.865433 0.951335 O\n0.134567 0.048665 0.407745 O\n0.048665 0.407745 0.134567 O\n0.407745 0.134567 0.048665 O\n0.617135 0.995107 0.794219 O\n0.995107 0.794219 0.617135 O\n0.794219 0.617135 0.995107 O\n0.382865 0.004893 0.205781 O\n0.004893 0.205781 0.382865 O\n0.205781 0.382865 0.004893 O\n0.870989 0.803486 0.468109 O\n0.803486 0.468109 0.870989 O\n0.468109 0.870989 0.803486 O\n0.129011 0.196514 0.531891 O\n0.196514 0.531891 0.129011 O\n0.531891 0.129011 0.196514 O\n0.636503 0.608818 0.479645 O\n0.608818 0.479645 0.636503 O\n0.479645 0.636503 0.608818 O\n0.363497 0.391182 0.520355 O\n0.391182 0.520355 0.363497 O\n0.520355 0.363497 0.391182 O\n0.021138 0.964894 0.724848 O\n0.964894 0.724848 0.021138 O\n0.724848 0.021138 0.964894 O\n0.978862 0.035106 0.275152 O\n0.035106 0.275152 0.978862 O\n0.275152 0.978862 0.035106 O\n0.763162 0.985064 0.414466 O\n0.985064 0.414466 0.763162 O\n0.414466 0.763162 0.985064 O\n0.236838 0.014936 0.585534 O\n0.014936 0.585534 0.236838 O\n0.585534 0.236838 0.014936 O\n0.462822 0.031319 0.659090 O\n0.031319 0.659090 0.462822 O\n0.659090 0.462822 0.031319 O\n0.537178 0.968681 0.340910 O\n0.968681 0.340910 0.537178 O\n0.340910 0.537178 0.968681 O\n0.481974 0.749246 0.423186 O\n0.749246 0.423186 0.481974 O\n0.423186 0.481974 0.749246 O\n0.518026 0.250754 0.576814 O\n0.250754 0.576814 0.518026 O\n0.576814 0.518026 0.250754 O\n",
            "nsites": 190,
            "nelements": 6,
            "elements": [
                "P",
                "H",
                "W",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-P-W",
            "density": 4.112817712103581,
            "density_atomic": 0.07695979976859314,
            "volume": 2468.8213920943426,
            "volume_molar": 7.82504733394278,
            "formula_full": "P2 H60 W24 C18 N6 O80",
            "formula_reduced": "PH30W12C9N3O40",
            "formula_anonymous": "AB3C9D12E30F40",
            "energy": -1391.28295843,
            "energy_per_atom": -7.322541886473684,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1227.64495843,
            "band_gap": 3.3232,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 6.54e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:42.952000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-695298",
            "created_at": "2022-09-04T14:44:15.366993Z",
            "structure_string": "K22 Nb13 In11 P24 O120\n1.0\n9.484528 -0.013158 0.008530\n-0.013153 9.461978 0.010032\n0.028368 0.032382 33.253121\nK Nb In P O\n22 13 11 24 120\ndirect\n0.001220 0.218320 0.156555 K\n0.004582 0.225741 0.490572 K\n0.004770 0.225799 0.823883 K\n0.225709 0.995655 0.407411 K\n0.225940 0.995396 0.740579 K\n0.271455 0.515118 0.240328 K\n0.274025 0.516143 0.573646 K\n0.273978 0.516541 0.907054 K\n0.485708 0.274343 0.323485 K\n0.483735 0.274151 0.656921 K\n0.480484 0.272933 0.989875 K\n0.518093 0.726218 0.156444 K\n0.516425 0.726100 0.490273 K\n0.516114 0.725941 0.823681 K\n0.727053 0.485673 0.073405 K\n0.725984 0.483694 0.406813 K\n0.726006 0.483706 0.740314 K\n0.774077 0.004622 0.573863 K\n0.773965 0.004055 0.906986 K\n0.992507 0.777971 0.322362 K\n0.995266 0.774200 0.657226 K\n0.999339 0.779617 0.991626 K\n0.104691 0.386282 0.008399 Nb\n0.102593 0.385257 0.341221 Nb\n0.104009 0.385935 0.674697 Nb\n0.374399 0.135645 0.173651 Nb\n0.382654 0.889880 0.259716 Nb\n0.386033 0.896103 0.591395 Nb\n0.385507 0.896224 0.925107 Nb\n0.618868 0.107953 0.089075 Nb\n0.614376 0.103597 0.424345 Nb\n0.613955 0.103950 0.758068 Nb\n0.895699 0.614109 0.508013 Nb\n0.896206 0.618492 0.175025 Nb\n0.896015 0.614179 0.841338 Nb\n0.143045 0.635978 0.091056 In\n0.142460 0.629271 0.425088 In\n0.143196 0.629157 0.758317 In\n0.370733 0.143123 0.508159 In\n0.370539 0.142807 0.841772 In\n0.627483 0.853365 0.007864 In\n0.634257 0.860718 0.340546 In\n0.629425 0.857025 0.674947 In\n0.854722 0.366042 0.257946 In\n0.856884 0.370727 0.591622 In\n0.857258 0.371281 0.925059 In\n0.168902 0.177474 0.257437 P\n0.167040 0.178748 0.590740 P\n0.166726 0.178949 0.924177 P\n0.182618 0.832571 0.174006 P\n0.178968 0.832924 0.507417 P\n0.179095 0.832991 0.840823 P\n0.327873 0.325297 0.088582 P\n0.328201 0.326819 0.421703 P\n0.328198 0.326579 0.755239 P\n0.326170 0.671788 0.005487 P\n0.327863 0.671766 0.339053 P\n0.326656 0.671959 0.671951 P\n0.674694 0.325173 0.171959 P\n0.673982 0.674544 0.255107 P\n0.673337 0.327701 0.505233 P\n0.671763 0.673375 0.588614 P\n0.673471 0.327870 0.838683 P\n0.672005 0.673311 0.921895 P\n0.821964 0.166171 0.007025 P\n0.820758 0.167258 0.340863 P\n0.821172 0.166990 0.674119 P\n0.832130 0.819963 0.090854 P\n0.832874 0.821043 0.424002 P\n0.833007 0.821326 0.757387 P\n0.002566 0.536792 0.134471 O\n0.003137 0.532996 0.467577 O\n0.003258 0.533268 0.800886 O\n0.010937 0.189229 0.249591 O\n0.005814 0.184154 0.917889 O\n0.006316 0.184187 0.584390 O\n0.024846 0.792494 0.180471 O\n0.021975 0.787069 0.514303 O\n0.022034 0.787167 0.847687 O\n0.035049 0.499571 0.048861 O\n0.034730 0.499204 0.381740 O\n0.034610 0.499396 0.715231 O\n0.200387 0.995874 0.168738 O\n0.184631 0.994073 0.500971 O\n0.184567 0.994135 0.834319 O\n0.212984 0.021577 0.597678 O\n0.212637 0.020283 0.265239 O\n0.212926 0.021732 0.930860 O\n0.216820 0.263632 0.627917 O\n0.221260 0.265711 0.293565 O\n0.216316 0.263810 0.961273 O\n0.245105 0.758261 0.136706 O\n0.241985 0.759094 0.469532 O\n0.242003 0.759003 0.802972 O\n0.243582 0.736184 0.040980 O\n0.243050 0.737448 0.374194 O\n0.243374 0.736897 0.707748 O\n0.249929 0.231436 0.218436 O\n0.241139 0.241987 0.552837 O\n0.240583 0.242301 0.886220 O\n0.246064 0.279353 0.050848 O\n0.248814 0.280219 0.382813 O\n0.248644 0.279582 0.716444 O\n0.273529 0.243176 0.127072 O\n0.263071 0.243346 0.457599 O\n0.263380 0.243028 0.791142 O\n0.265460 0.783398 0.211581 O\n0.263546 0.783029 0.544592 O\n0.263725 0.783442 0.878025 O\n0.280689 0.753391 0.299610 O\n0.279660 0.751360 0.633083 O\n0.280786 0.750433 0.966276 O\n0.283208 0.515614 0.331536 O\n0.282547 0.513975 0.665474 O\n0.282625 0.513052 0.998727 O\n0.320991 0.484714 0.097292 O\n0.323217 0.487353 0.428906 O\n0.323504 0.486999 0.762453 O\n0.445847 0.014050 0.214901 O\n0.466785 0.003618 0.550808 O\n0.466653 0.003535 0.884455 O\n0.486193 0.282486 0.081619 O\n0.485696 0.282673 0.415256 O\n0.485851 0.282545 0.748742 O\n0.486665 0.674882 0.012516 O\n0.486640 0.676703 0.679176 O\n0.487346 0.680143 0.345454 O\n0.495465 0.049143 0.134700 O\n0.500041 0.034461 0.464940 O\n0.500358 0.034240 0.798656 O\n0.496535 0.968346 0.297519 O\n0.499495 0.965598 0.631881 O\n0.499962 0.966055 0.965568 O\n0.510744 0.303513 0.178590 O\n0.513234 0.323252 0.512551 O\n0.513338 0.323073 0.845908 O\n0.515375 0.723305 0.248307 O\n0.514220 0.717519 0.582141 O\n0.514605 0.717758 0.915566 O\n0.536130 0.993762 0.052324 O\n0.534115 0.996200 0.383613 O\n0.533467 0.996413 0.717609 O\n0.676470 0.512933 0.595902 O\n0.673857 0.513743 0.262217 O\n0.676590 0.512793 0.929228 O\n0.708658 0.484445 0.165479 O\n0.717607 0.485824 0.498773 O\n0.717634 0.485925 0.832161 O\n0.719916 0.248363 0.466381 O\n0.719802 0.247287 0.132963 O\n0.720364 0.248560 0.799819 O\n0.735544 0.215017 0.045059 O\n0.737087 0.217274 0.378354 O\n0.736510 0.217017 0.711292 O\n0.736626 0.756802 0.624409 O\n0.736562 0.753556 0.291661 O\n0.737504 0.756530 0.957676 O\n0.751251 0.717480 0.215887 O\n0.751454 0.720467 0.549731 O\n0.751527 0.720348 0.883001 O\n0.756885 0.758498 0.053039 O\n0.758520 0.758132 0.386278 O\n0.759031 0.758070 0.719590 O\n0.753357 0.262702 0.208205 O\n0.756540 0.262966 0.541079 O\n0.756556 0.263120 0.874562 O\n0.757544 0.243995 0.303886 O\n0.758100 0.240952 0.636282 O\n0.756222 0.241777 0.970040 O\n0.780859 0.735767 0.128180 O\n0.783300 0.736190 0.461355 O\n0.783119 0.736327 0.794657 O\n0.782257 0.977386 0.098253 O\n0.786908 0.978112 0.431027 O\n0.786989 0.978397 0.764284 O\n0.813194 0.005597 0.001276 O\n0.816426 0.006285 0.335607 O\n0.815454 0.005933 0.667725 O\n0.963125 0.501220 0.215049 O\n0.965425 0.500605 0.548571 O\n0.965693 0.500626 0.881876 O\n0.975815 0.213948 0.014482 O\n0.978725 0.212668 0.347531 O\n0.978121 0.212640 0.681001 O\n0.993795 0.815654 0.417688 O\n0.991258 0.815116 0.084732 O\n0.993754 0.815850 0.750976 O\n0.996921 0.465027 0.300480 O\n0.996763 0.466662 0.634239 O\n0.996709 0.466079 0.967828 O\n",
            "nsites": 190,
            "nelements": 5,
            "elements": [
                "K",
                "Nb",
                "In",
                "P",
                "O"
            ],
            "chemical_system": "In-K-Nb-O-P",
            "density": 3.335453634563727,
            "density_atomic": 0.06366857819771285,
            "volume": 2984.203595845734,
            "volume_molar": 9.458575847726927,
            "formula_full": "K22 Nb13 In11 P24 O120",
            "formula_reduced": "K22Nb13In11(PO5)24",
            "formula_anonymous": "A11B13C22D24E120",
            "energy": -1429.56553732,
            "energy_per_atom": -7.524029143789473,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1347.12553732,
            "band_gap": 2.6685,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.000432,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:26.983000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1096929",
            "created_at": "2022-09-04T14:44:26.749674Z",
            "structure_string": "Zr64 S127\n1.0\n-7.418877 -12.849887 -0.000027\n-7.418881 12.849886 0.000031\n0.000008 -0.000052 -26.591321\nZr S\n64 127\ndirect\n0.985546 0.014455 0.989006 Zr\n0.000001 0.999998 0.749635 Zr\n1.000000 -0.000000 0.499978 Zr\n0.999964 0.000037 0.249756 Zr\n0.000934 0.256622 0.002798 Zr\n0.999999 0.250010 0.749814 Zr\n0.000002 0.250009 0.499990 Zr\n0.999968 0.249945 0.250345 Zr\n0.000934 0.494314 0.002799 Zr\n0.999997 0.499985 0.749814 Zr\n0.000003 0.499993 0.499993 Zr\n0.999968 0.500026 0.250344 Zr\n0.985547 0.721096 0.989009 Zr\n0.000001 0.750000 0.749637 Zr\n0.999998 0.749999 0.499979 Zr\n0.999966 0.749932 0.249757 Zr\n0.749920 0.749961 0.000315 Zr\n0.749929 0.749963 0.749960 Zr\n0.749991 0.749995 0.499996 Zr\n0.749888 0.749945 0.249487 Zr\n0.743379 0.999067 0.002798 Zr\n0.749989 0.000001 0.749814 Zr\n0.749991 0.999998 0.499990 Zr\n0.750055 0.000032 0.250345 Zr\n0.749999 0.250000 0.004402 Zr\n0.750000 0.249999 0.749781 Zr\n0.749999 0.250000 0.500041 Zr\n0.750000 0.250000 0.250539 Zr\n0.743380 0.494314 0.002800 Zr\n0.749988 0.499986 0.749812 Zr\n0.749990 0.499992 0.499993 Zr\n0.750057 0.500026 0.250343 Zr\n0.499426 0.500575 0.999709 Zr\n0.499983 0.500017 0.750171 Zr\n0.500002 0.499997 0.499970 Zr\n0.499993 0.500007 0.249918 Zr\n0.499424 0.748850 0.999710 Zr\n0.499982 0.749965 0.750170 Zr\n0.500002 0.750004 0.499969 Zr\n0.499992 0.749984 0.249917 Zr\n0.505686 0.999065 0.002799 Zr\n0.500015 0.000003 0.749814 Zr\n0.500007 0.999998 0.499992 Zr\n0.499974 0.000033 0.250345 Zr\n0.505686 0.256620 0.002800 Zr\n0.500014 0.250012 0.749812 Zr\n0.500007 0.250009 0.499992 Zr\n0.499975 0.249943 0.250343 Zr\n0.250038 0.250080 0.000314 Zr\n0.250037 0.250070 0.749960 Zr\n0.250004 0.250008 0.499996 Zr\n0.250055 0.250112 0.249487 Zr\n0.251150 0.500574 0.999710 Zr\n0.250035 0.500017 0.750170 Zr\n0.249997 0.499999 0.499969 Zr\n0.250016 0.500008 0.249917 Zr\n0.250039 0.749961 0.000312 Zr\n0.250035 0.749964 0.749959 Zr\n0.250004 0.749996 0.499997 Zr\n0.250056 0.749943 0.249487 Zr\n0.278904 0.014454 0.989009 Zr\n0.249999 0.999997 0.749637 Zr\n0.250000 0.000001 0.499978 Zr\n0.250069 0.000036 0.249757 Zr\n0.907694 0.092308 0.939677 S\n0.916623 0.083378 0.695334 S\n0.916658 0.083342 0.445560 S\n0.916431 0.083568 0.195635 S\n0.915063 0.332532 0.947429 S\n0.916681 0.333340 0.695398 S\n0.916639 0.333322 0.445569 S\n0.916413 0.333205 0.195997 S\n0.907696 0.565390 0.939679 S\n0.916624 0.583244 0.695334 S\n0.916656 0.583313 0.445562 S\n0.916432 0.582861 0.195634 S\n0.923775 0.836888 0.948645 S\n0.916441 0.833219 0.695378 S\n0.916663 0.833331 0.445557 S\n0.916730 0.833364 0.195049 S\n0.666549 0.833792 0.946421 S\n0.666473 0.833146 0.695594 S\n0.666677 0.833341 0.445544 S\n0.666709 0.833810 0.195429 S\n0.667467 0.084938 0.947428 S\n0.666661 0.083319 0.695398 S\n0.666678 0.083361 0.445568 S\n0.666795 0.083586 0.195997 S\n0.667468 0.332531 0.947429 S\n0.666661 0.333339 0.695396 S\n0.666679 0.333320 0.445569 S\n0.666795 0.333206 0.195997 S\n0.666549 0.582756 0.946421 S\n0.666472 0.583326 0.695593 S\n0.666675 0.583334 0.445545 S\n0.666709 0.582897 0.195428 S\n0.416667 0.583333 0.944861 S\n0.416668 0.583334 0.695702 S\n0.416668 0.583333 0.445535 S\n0.416668 0.583334 0.195447 S\n0.417246 0.833794 0.946420 S\n0.416674 0.833146 0.695594 S\n0.416665 0.833341 0.445547 S\n0.417103 0.833810 0.195428 S\n0.434609 0.092305 0.939678 S\n0.416755 0.083377 0.695333 S\n0.416687 0.083343 0.445561 S\n0.417138 0.083566 0.195634 S\n0.417245 0.333451 0.946421 S\n0.416673 0.333528 0.695593 S\n0.416666 0.333325 0.445546 S\n0.417102 0.333291 0.195428 S\n0.166207 0.333452 0.946420 S\n0.166854 0.333527 0.695594 S\n0.166660 0.333323 0.445545 S\n0.166191 0.333292 0.195429 S\n0.166206 0.582754 0.946420 S\n0.166854 0.583326 0.695594 S\n0.166659 0.583335 0.445546 S\n0.166191 0.582898 0.195428 S\n0.163111 0.836890 0.948645 S\n0.166780 0.833220 0.695379 S\n0.166670 0.833330 0.445558 S\n0.166636 0.833364 0.195049 S\n0.163112 0.076224 0.948645 S\n0.166781 0.083558 0.695379 S\n0.166669 0.083337 0.445557 S\n0.166635 0.083270 0.195049 S\n0.833532 0.916829 0.804322 S\n0.833333 0.916666 0.554418 S\n0.833631 0.916280 0.304238 S\n0.839968 0.921436 0.052212 S\n0.833294 0.166706 0.804261 S\n0.833345 0.166655 0.554436 S\n0.833510 0.166491 0.304848 S\n0.833767 0.166234 0.057044 S\n0.833294 0.416590 0.804261 S\n0.833347 0.416694 0.554438 S\n0.833510 0.417019 0.304847 S\n0.833770 0.417536 0.057046 S\n0.833532 0.666702 0.804323 S\n0.833331 0.666668 0.554419 S\n0.833628 0.667348 0.304238 S\n0.839969 0.668536 0.052214 S\n0.583481 0.666741 0.804602 S\n0.583312 0.666657 0.554414 S\n0.583609 0.666802 0.304168 S\n0.584633 0.667317 0.054843 S\n0.583480 0.916959 0.804394 S\n0.583324 0.916650 0.554418 S\n0.583151 0.916302 0.304615 S\n0.582504 0.915009 0.058684 S\n0.583409 0.166706 0.804261 S\n0.583306 0.166653 0.554438 S\n0.582981 0.166492 0.304847 S\n0.582464 0.166230 0.057045 S\n0.583480 0.416520 0.804395 S\n0.583325 0.416677 0.554420 S\n0.583151 0.416847 0.304614 S\n0.582504 0.417497 0.058685 S\n0.333259 0.416519 0.804601 S\n0.333343 0.416689 0.554413 S\n0.333197 0.416390 0.304168 S\n0.332683 0.415367 0.054844 S\n0.333261 0.666741 0.804601 S\n0.333345 0.666656 0.554413 S\n0.333196 0.666804 0.304169 S\n0.332681 0.667319 0.054844 S\n0.333298 0.916830 0.804322 S\n0.333332 0.916665 0.554419 S\n0.332651 0.916279 0.304239 S\n0.331465 0.921433 0.052213 S\n0.333299 0.166469 0.804322 S\n0.333331 0.166668 0.554419 S\n0.332652 0.166372 0.304238 S\n0.331463 0.160031 0.052214 S\n0.083170 0.166468 0.804322 S\n0.083333 0.166667 0.554418 S\n0.083720 0.166369 0.304238 S\n0.078564 0.160032 0.052212 S\n0.083042 0.416521 0.804394 S\n0.083351 0.416675 0.554419 S\n0.083698 0.416848 0.304615 S\n0.084990 0.417495 0.058685 S\n0.083171 0.666702 0.804322 S\n0.083334 0.666667 0.554419 S\n0.083721 0.667348 0.304239 S\n0.078566 0.668534 0.052213 S\n0.083333 0.916667 0.804138 S\n0.083332 0.916667 0.554410 S\n0.083333 0.916667 0.304118 S\n",
            "nsites": 191,
            "nelements": 2,
            "elements": [
                "Zr",
                "S"
            ],
            "chemical_system": "S-Zr",
            "density": 3.2459450477250322,
            "density_atomic": 0.03767262471860288,
            "volume": 5069.9944967116535,
            "volume_molar": 15.985455765247611,
            "formula_full": "Zr64 S127",
            "formula_reduced": "Zr64S127",
            "formula_anonymous": "A64B127",
            "energy": -1420.3089685,
            "energy_per_atom": -7.4361726099476435,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1356.4279685,
            "band_gap": 0.1021,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.1107984,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:41.914000Z",
            "spacegroup": 156
        }
    ]
}