GET /third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=86
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=energy_uncorrected&page=87",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=85",
    "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-704707",
            "created_at": "2022-09-04T14:41:47.795415Z",
            "structure_string": "Cr16 Mo24 O96\n1.0\n9.371128 0.000000 0.000000\n0.000000 15.871061 0.000000\n0.000000 5.223677 15.108611\nCr Mo O\n16 24 96\ndirect\n0.525301 0.066293 0.815276 Cr\n0.974699 0.566293 0.815276 Cr\n0.981408 0.690453 0.417325 Cr\n0.481408 0.809547 0.582675 Cr\n0.535925 0.564044 0.317938 Cr\n0.464075 0.435956 0.682062 Cr\n0.518592 0.190453 0.417325 Cr\n0.456894 0.324783 0.049041 Cr\n0.035925 0.935956 0.682062 Cr\n0.964075 0.064044 0.317938 Cr\n0.956894 0.175217 0.950959 Cr\n0.043106 0.824783 0.049041 Cr\n0.018592 0.309547 0.582675 Cr\n0.543106 0.675217 0.950959 Cr\n0.474699 0.933707 0.184724 Cr\n0.025301 0.433707 0.184724 Cr\n0.872042 0.639274 0.213297 Mo\n0.745010 0.981598 0.019255 Mo\n0.749035 0.993606 0.510551 Mo\n0.245010 0.518402 0.980745 Mo\n0.249035 0.506394 0.489449 Mo\n0.750965 0.493606 0.510551 Mo\n0.378699 0.725083 0.135051 Mo\n0.619505 0.768193 0.383261 Mo\n0.754990 0.481598 0.019255 Mo\n0.372042 0.860726 0.786703 Mo\n0.621301 0.274917 0.864949 Mo\n0.616044 0.610973 0.747892 Mo\n0.883956 0.110973 0.747892 Mo\n0.878699 0.774917 0.864949 Mo\n0.627958 0.139274 0.213297 Mo\n0.880495 0.268193 0.383261 Mo\n0.116044 0.889027 0.252108 Mo\n0.127958 0.360726 0.786703 Mo\n0.383956 0.389027 0.252108 Mo\n0.121301 0.225083 0.135051 Mo\n0.254990 0.018402 0.980745 Mo\n0.380495 0.231807 0.616739 Mo\n0.119505 0.731807 0.616739 Mo\n0.250965 0.006394 0.489449 Mo\n0.398422 0.761300 0.879404 O\n0.791296 0.564444 0.751165 O\n0.351882 0.905938 0.506076 O\n0.318116 0.503483 0.595017 O\n0.898422 0.738700 0.120596 O\n0.917588 0.681548 0.829660 O\n0.189220 0.229711 0.609072 O\n0.423528 0.378011 0.146052 O\n0.923528 0.121989 0.853948 O\n0.208704 0.435556 0.248835 O\n0.358206 0.104122 0.450730 O\n0.533957 0.048572 0.196189 O\n0.388339 0.281733 0.336132 O\n0.534712 0.764509 0.484716 O\n0.429582 0.130880 0.701307 O\n0.141794 0.604122 0.450730 O\n0.111531 0.125354 0.229109 O\n0.121233 0.499911 0.070307 O\n0.310780 0.729711 0.609072 O\n0.570418 0.869120 0.298693 O\n0.688056 0.586885 0.022324 O\n0.003334 0.778629 0.948812 O\n0.697759 0.765366 0.903623 O\n0.601578 0.238700 0.120596 O\n0.937664 0.653583 0.312483 O\n0.111721 0.011484 0.411160 O\n0.417588 0.818452 0.170340 O\n0.496666 0.278629 0.948812 O\n0.656986 0.927127 0.122141 O\n0.996666 0.221371 0.051188 O\n0.181884 0.003483 0.595017 O\n0.112384 0.086624 0.996431 O\n0.465288 0.235491 0.515284 O\n0.888469 0.874646 0.770891 O\n0.082412 0.318452 0.170340 O\n0.111661 0.781733 0.336132 O\n0.966043 0.548572 0.196189 O\n0.387616 0.586624 0.996431 O\n0.611661 0.718267 0.663868 O\n0.611531 0.374646 0.770891 O\n0.466043 0.951428 0.803811 O\n0.562336 0.153583 0.312483 O\n0.438212 0.328264 0.642512 O\n0.184010 0.882253 0.774187 O\n0.015966 0.040947 0.723622 O\n0.033957 0.451428 0.803811 O\n0.818116 0.996517 0.404983 O\n0.851882 0.594062 0.493924 O\n0.561788 0.671736 0.357488 O\n0.843014 0.427127 0.122141 O\n0.887616 0.913376 0.003569 O\n0.576472 0.621989 0.853948 O\n0.148118 0.405938 0.506076 O\n0.802241 0.265366 0.903623 O\n0.070418 0.630880 0.701307 O\n0.888279 0.988516 0.588840 O\n0.810780 0.770289 0.390928 O\n0.984034 0.959053 0.276378 O\n0.034712 0.735491 0.515284 O\n0.484034 0.540947 0.723622 O\n0.878767 0.500089 0.929693 O\n0.815990 0.117747 0.225813 O\n0.101578 0.261300 0.879404 O\n0.612384 0.413376 0.003569 O\n0.315990 0.382253 0.774187 O\n0.188056 0.913115 0.977676 O\n0.343014 0.072873 0.877859 O\n0.388469 0.625354 0.229109 O\n0.515966 0.459053 0.276378 O\n0.197759 0.734634 0.096377 O\n0.708704 0.064444 0.751165 O\n0.378767 0.999911 0.070307 O\n0.641794 0.895878 0.549270 O\n0.503334 0.721371 0.051188 O\n0.388279 0.511484 0.411160 O\n0.062336 0.346417 0.687517 O\n0.965288 0.264509 0.484716 O\n0.611721 0.488516 0.588840 O\n0.938212 0.171736 0.357488 O\n0.648118 0.094062 0.493924 O\n0.156986 0.572873 0.877859 O\n0.689220 0.270289 0.390928 O\n0.888339 0.218267 0.663868 O\n0.811944 0.086885 0.022324 O\n0.684010 0.617747 0.225813 O\n0.858206 0.395878 0.549270 O\n0.681884 0.496517 0.404983 O\n0.929582 0.369120 0.298693 O\n0.291296 0.935556 0.248835 O\n0.061788 0.828264 0.642512 O\n0.311944 0.413115 0.977676 O\n0.582412 0.181548 0.829660 O\n0.621233 0.000089 0.929693 O\n0.437664 0.846417 0.687517 O\n0.076472 0.878011 0.146052 O\n0.302241 0.234634 0.096377 O\n",
            "nsites": 136,
            "nelements": 3,
            "elements": [
                "Cr",
                "Mo",
                "O"
            ],
            "chemical_system": "Cr-Mo-O",
            "density": 3.4513144062671044,
            "density_atomic": 0.06052245524936615,
            "volume": 2247.0998481414767,
            "volume_molar": 9.950258520060732,
            "formula_full": "Cr16 Mo24 O96",
            "formula_reduced": "Cr2(MoO4)3",
            "formula_anonymous": "A2B3C12",
            "energy": -1174.05982373,
            "energy_per_atom": -8.632792821544118,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -999.27582373,
            "band_gap": 2.6785,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 48.0512502,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:26.954000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1205271",
            "created_at": "2022-09-04T14:40:36.225900Z",
            "structure_string": "Na8 Cu4 P16 H72 N16 O60\n1.0\n6.445836 0.000000 0.000000\n0.000000 14.723626 0.000000\n0.000000 0.000000 19.054994\nNa Cu P H N O\n8 4 16 72 16 60\ndirect\n0.704279 0.250000 0.748160 Na\n0.204279 0.250000 0.751840 Na\n0.295721 0.750000 0.251840 Na\n0.795721 0.750000 0.248160 Na\n0.671046 0.250000 0.336796 Na\n0.171046 0.250000 0.163204 Na\n0.328954 0.750000 0.663204 Na\n0.828954 0.750000 0.836796 Na\n0.499580 0.250000 0.027841 Cu\n0.999580 0.250000 0.472159 Cu\n0.500420 0.750000 0.972159 Cu\n0.000420 0.750000 0.527841 Cu\n0.548874 0.060769 0.107098 P\n0.048874 0.439231 0.392902 P\n0.451126 0.560769 0.892902 P\n0.951126 0.939231 0.607098 P\n0.451126 0.939231 0.892902 P\n0.951126 0.560769 0.607098 P\n0.548874 0.439231 0.107098 P\n0.048874 0.060769 0.392902 P\n0.724828 0.081247 0.961672 P\n0.224828 0.418753 0.538328 P\n0.275172 0.581247 0.038328 P\n0.775172 0.918753 0.461672 P\n0.275172 0.918753 0.038328 P\n0.775172 0.581247 0.461672 P\n0.724828 0.418753 0.961672 P\n0.224828 0.081247 0.538328 P\n0.817224 0.515664 0.052305 H\n0.317224 0.984336 0.447695 H\n0.182776 0.015664 0.947695 H\n0.682776 0.484336 0.552305 H\n0.182776 0.484336 0.947695 H\n0.682776 0.015664 0.552305 H\n0.817224 0.984336 0.052305 H\n0.317224 0.515664 0.447695 H\n0.713047 0.021774 0.370984 H\n0.213047 0.478226 0.129016 H\n0.286953 0.521774 0.629016 H\n0.786953 0.978226 0.870984 H\n0.286953 0.978226 0.629016 H\n0.786953 0.521774 0.870984 H\n0.713047 0.478226 0.370984 H\n0.213047 0.021774 0.129016 H\n0.578987 0.586536 0.193602 H\n0.078987 0.913464 0.306398 H\n0.421013 0.086536 0.806398 H\n0.921013 0.413464 0.693602 H\n0.421013 0.413464 0.806398 H\n0.921013 0.086536 0.693602 H\n0.578987 0.913464 0.193602 H\n0.078987 0.586536 0.306398 H\n0.524099 0.663282 0.141694 H\n0.024099 0.836718 0.358306 H\n0.475901 0.163282 0.858306 H\n0.975901 0.336718 0.641694 H\n0.475901 0.336718 0.858306 H\n0.975901 0.163282 0.641694 H\n0.524099 0.836718 0.141694 H\n0.024099 0.663282 0.358306 H\n0.544874 0.697104 0.376204 H\n0.044874 0.802896 0.123796 H\n0.455126 0.197104 0.623796 H\n0.955126 0.302896 0.876204 H\n0.455126 0.302896 0.623796 H\n0.955126 0.197104 0.876204 H\n0.544874 0.802896 0.376204 H\n0.044874 0.697104 0.123796 H\n0.575802 0.196898 0.494996 H\n0.075802 0.303102 0.005004 H\n0.424198 0.696898 0.505004 H\n0.924198 0.803102 0.994996 H\n0.424198 0.803102 0.505004 H\n0.924198 0.696898 0.994996 H\n0.575802 0.303102 0.494996 H\n0.075802 0.196898 0.005004 H\n0.593065 0.066871 0.261554 H\n0.093065 0.433129 0.238446 H\n0.406935 0.566871 0.738446 H\n0.906935 0.933129 0.761554 H\n0.406935 0.933129 0.738446 H\n0.906935 0.566871 0.761554 H\n0.593065 0.433129 0.261554 H\n0.093065 0.066871 0.238446 H\n0.917341 0.064934 0.182072 H\n0.417341 0.435066 0.317928 H\n0.082659 0.564934 0.817928 H\n0.582659 0.935066 0.682072 H\n0.082659 0.935066 0.817928 H\n0.582659 0.564934 0.682072 H\n0.917341 0.435066 0.182072 H\n0.417341 0.064934 0.317928 H\n0.718826 0.198544 0.189678 H\n0.218826 0.301456 0.310322 H\n0.281174 0.698544 0.810322 H\n0.781174 0.801456 0.689678 H\n0.281174 0.801456 0.810322 H\n0.781174 0.698544 0.689678 H\n0.718826 0.301456 0.189678 H\n0.218826 0.198544 0.310322 H\n0.711526 0.035408 0.042484 N\n0.211526 0.464592 0.457516 N\n0.288474 0.535408 0.957516 N\n0.788474 0.964592 0.542484 N\n0.288474 0.964592 0.957516 N\n0.788474 0.535408 0.542484 N\n0.711526 0.464592 0.042484 N\n0.211526 0.035408 0.457516 N\n0.831370 0.001168 0.405144 N\n0.331370 0.498832 0.094856 N\n0.168630 0.501168 0.594856 N\n0.668630 0.998832 0.905144 N\n0.168630 0.998832 0.594856 N\n0.668630 0.501168 0.905144 N\n0.831370 0.498832 0.405144 N\n0.331370 0.001168 0.094856 N\n0.651520 0.032600 0.175816 O\n0.151520 0.467400 0.324184 O\n0.348480 0.532600 0.824184 O\n0.848480 0.967400 0.675816 O\n0.348480 0.967400 0.824184 O\n0.848480 0.532600 0.675816 O\n0.651520 0.467400 0.175816 O\n0.151520 0.032600 0.324184 O\n0.992822 0.161685 0.393823 O\n0.492822 0.338315 0.106177 O\n0.007178 0.661685 0.606177 O\n0.507178 0.838315 0.893823 O\n0.007178 0.838315 0.606177 O\n0.507178 0.661685 0.893823 O\n0.992822 0.338315 0.393823 O\n0.492822 0.161685 0.106177 O\n0.553868 0.153756 0.957818 O\n0.053868 0.346244 0.542182 O\n0.446132 0.653756 0.042182 O\n0.946132 0.846244 0.457818 O\n0.446132 0.846244 0.042182 O\n0.946132 0.653756 0.457818 O\n0.553868 0.346244 0.957818 O\n0.053868 0.153756 0.542182 O\n0.553733 0.609865 0.446612 O\n0.053733 0.890135 0.053388 O\n0.446267 0.109865 0.553388 O\n0.946267 0.390135 0.946612 O\n0.446267 0.390135 0.553388 O\n0.946267 0.109865 0.946612 O\n0.553733 0.890135 0.446612 O\n0.053733 0.609865 0.053388 O\n0.547494 0.652161 0.191986 O\n0.047494 0.847839 0.308014 O\n0.452506 0.152161 0.808014 O\n0.952506 0.347839 0.691986 O\n0.452506 0.347839 0.808014 O\n0.952506 0.152161 0.691986 O\n0.547494 0.847839 0.191986 O\n0.047494 0.652161 0.308014 O\n0.954560 0.250000 0.844252 O\n0.454560 0.250000 0.655748 O\n0.045440 0.750000 0.155748 O\n0.545440 0.750000 0.344252 O\n0.632706 0.250000 0.469562 O\n0.132706 0.250000 0.030438 O\n0.367294 0.750000 0.530438 O\n0.867294 0.750000 0.969562 O\n0.563465 0.083935 0.310976 O\n0.063465 0.416065 0.189024 O\n0.436535 0.583935 0.689024 O\n0.936535 0.916065 0.810976 O\n0.436535 0.916065 0.689024 O\n0.936535 0.583935 0.810976 O\n0.563465 0.416065 0.310976 O\n0.063465 0.083935 0.189024 O\n0.788874 0.250000 0.211950 O\n0.288874 0.250000 0.288050 O\n0.211126 0.750000 0.788050 O\n0.711126 0.750000 0.711950 O\n",
            "nsites": 176,
            "nelements": 6,
            "elements": [
                "Na",
                "Cu",
                "P",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "Cu-H-N-Na-O-P",
            "density": 2.0111981331257995,
            "density_atomic": 0.09732173048511722,
            "volume": 1808.4347567875864,
            "volume_molar": 6.187868557188188,
            "formula_full": "Na8 Cu4 P16 H72 N16 O60",
            "formula_reduced": "Na2CuP4H18N4O15",
            "formula_anonymous": "AB2C4D4E15F18",
            "energy": -1045.16549588,
            "energy_per_atom": -5.9384403175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -998.16949588,
            "band_gap": 1.1201,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0546972,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:55.890000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1213396",
            "created_at": "2022-09-04T14:45:59.956607Z",
            "structure_string": "K24 Ga24 Ge24 O96\n1.0\n0.000000 0.000000 -8.789124\n-9.451705 -16.370833 0.000000\n-9.451705 16.370833 0.000000\nK Ga Ge O\n24 24 24 96\ndirect\n0.983510 0.995991 0.525579 K\n0.983510 0.529588 0.004009 K\n0.483510 0.004009 0.474421 K\n0.983510 0.474421 0.470412 K\n0.483510 0.470412 0.995991 K\n0.483510 0.525579 0.529588 K\n0.983353 0.666667 0.333333 K\n0.483353 0.333333 0.666667 K\n0.980530 0.802526 0.133657 K\n0.980530 0.331131 0.197474 K\n0.480530 0.197474 0.866343 K\n0.980530 0.866343 0.668869 K\n0.480530 0.668869 0.802526 K\n0.480530 0.133657 0.331131 K\n0.476319 0.666667 0.333333 K\n0.976319 0.333333 0.666667 K\n0.979995 0.669479 0.855693 K\n0.979995 0.186214 0.330521 K\n0.479995 0.330521 0.144307 K\n0.979995 0.144307 0.813786 K\n0.479995 0.813786 0.669479 K\n0.479995 0.855693 0.186214 K\n0.993304 -0.000000 0.000000 K\n0.493304 -0.000000 0.000000 K\n0.685673 0.502268 0.824530 Ga\n0.685673 0.322263 0.497732 Ga\n0.185673 0.497732 0.175470 Ga\n0.685673 0.175470 0.677737 Ga\n0.185673 0.677737 0.502268 Ga\n0.185673 0.824530 0.322263 Ga\n0.685215 0.652788 0.165087 Ga\n0.685215 0.512299 0.347212 Ga\n0.185215 0.347212 0.834913 Ga\n0.685215 0.834913 0.487701 Ga\n0.185215 0.487701 0.652788 Ga\n0.185215 0.165087 0.512299 Ga\n0.788877 0.669036 0.669760 Ga\n0.788877 0.000724 0.330964 Ga\n0.288877 0.330964 0.330240 Ga\n0.788877 0.330240 0.999276 Ga\n0.288877 0.999276 0.669036 Ga\n0.288877 0.669760 0.000724 Ga\n0.662866 0.831110 0.993279 Ga\n0.662866 0.162169 0.168890 Ga\n0.162866 0.168890 0.006721 Ga\n0.662866 0.006721 0.837831 Ga\n0.162866 0.837831 0.831110 Ga\n0.162866 0.993279 0.162169 Ga\n0.802262 0.824926 0.319486 Ge\n0.802262 0.494560 0.175074 Ge\n0.302262 0.175074 0.680514 Ge\n0.802262 0.680514 0.505440 Ge\n0.302262 0.505440 0.824926 Ge\n0.302262 0.319486 0.494560 Ge\n0.779689 0.992724 0.158595 Ge\n0.779689 0.165871 0.007276 Ge\n0.279689 0.007276 0.841405 Ge\n0.779689 0.841405 0.834129 Ge\n0.279689 0.834129 0.992724 Ge\n0.279689 0.158595 0.165871 Ge\n0.687752 0.667426 0.003618 Ge\n0.687752 0.336192 0.332574 Ge\n0.187752 0.332574 0.996382 Ge\n0.687752 0.996382 0.663808 Ge\n0.187752 0.663808 0.667426 Ge\n0.187752 0.003618 0.336192 Ge\n0.801245 0.493118 0.656366 Ge\n0.801245 0.163248 0.506882 Ge\n0.301245 0.506882 0.343634 Ge\n0.801245 0.343634 0.836752 Ge\n0.301245 0.836752 0.493118 Ge\n0.301245 0.656366 0.163248 Ge\n0.766769 0.738427 0.978372 O\n0.766769 0.239944 0.261573 O\n0.266769 0.261573 0.021628 O\n0.766769 0.021628 0.760056 O\n0.266769 0.760056 0.738427 O\n0.266769 0.978372 0.239944 O\n0.749487 0.567299 0.932406 O\n0.749487 0.365107 0.432701 O\n0.249487 0.432701 0.067594 O\n0.749487 0.067594 0.634893 O\n0.249487 0.634893 0.567299 O\n0.249487 0.932406 0.365107 O\n0.763291 0.692698 0.100466 O\n0.763291 0.407769 0.307302 O\n0.263291 0.307302 0.899534 O\n0.763291 0.899534 0.592231 O\n0.263291 0.592231 0.692698 O\n0.263291 0.100466 0.407769 O\n0.709058 0.565947 0.637506 O\n0.709058 0.071559 0.434053 O\n0.209058 0.434053 0.362494 O\n0.709058 0.362494 0.928441 O\n0.209058 0.928441 0.565947 O\n0.209058 0.637506 0.071559 O\n0.701784 0.731255 0.274682 O\n0.701784 0.543428 0.268745 O\n0.201784 0.268745 0.725318 O\n0.701784 0.725318 0.456572 O\n0.201784 0.456572 0.731255 O\n0.201784 0.274682 0.543428 O\n0.965798 0.950642 0.141299 O\n0.965798 0.190657 0.049358 O\n0.465798 0.049358 0.858701 O\n0.965798 0.858701 0.809343 O\n0.465798 0.809343 0.950642 O\n0.465798 0.141299 0.190657 O\n0.720487 0.737964 0.775837 O\n0.720487 0.037873 0.262036 O\n0.220487 0.262036 0.224163 O\n0.720487 0.224163 0.962128 O\n0.220487 0.962128 0.737964 O\n0.220487 0.775837 0.037873 O\n0.772016 0.874064 0.939496 O\n0.772016 0.065432 0.125936 O\n0.272016 0.125936 0.060504 O\n0.772016 0.060504 0.934568 O\n0.272016 0.934568 0.874064 O\n0.272016 0.939496 0.065432 O\n0.805128 0.865620 0.426182 O\n0.805128 0.560561 0.134380 O\n0.305128 0.134380 0.573818 O\n0.805128 0.573818 0.439439 O\n0.305128 0.439439 0.865620 O\n0.305128 0.426182 0.560561 O\n0.986715 0.469569 0.613470 O\n0.986715 0.143901 0.530431 O\n0.486715 0.530431 0.386530 O\n0.986715 0.386530 0.856099 O\n0.486715 0.856099 0.469569 O\n0.486715 0.613470 0.143901 O\n0.992991 0.664567 0.680330 O\n0.992991 0.015762 0.335433 O\n0.492991 0.335433 0.319670 O\n0.992991 0.319670 0.984238 O\n0.492991 0.984238 0.664567 O\n0.492991 0.680330 0.015762 O\n0.651011 0.911072 0.102174 O\n0.651011 0.191102 0.088928 O\n0.151011 0.088928 0.897826 O\n0.651011 0.897826 0.808898 O\n0.151011 0.808898 0.911072 O\n0.151011 0.102174 0.191102 O\n0.811947 0.529337 0.762594 O\n0.811947 0.233257 0.470663 O\n0.311947 0.470663 0.237406 O\n0.811947 0.237406 0.766743 O\n0.311947 0.766743 0.529337 O\n0.311947 0.762594 0.233257 O\n0.697012 0.400350 0.607834 O\n0.697012 0.207484 0.599650 O\n0.197012 0.599650 0.392166 O\n0.697012 0.392166 0.792516 O\n0.197012 0.792516 0.400350 O\n0.197012 0.607834 0.207484 O\n0.989944 0.803895 0.279629 O\n0.989944 0.475735 0.196105 O\n0.489944 0.196105 0.720371 O\n0.989944 0.720371 0.524265 O\n0.489944 0.524265 0.803895 O\n0.489944 0.279629 0.475735 O\n0.717188 0.895743 0.295083 O\n0.717188 0.399340 0.104257 O\n0.217188 0.104257 0.704917 O\n0.717188 0.704917 0.600660 O\n0.217188 0.600660 0.895743 O\n0.217188 0.295083 0.399340 O\n",
            "nsites": 168,
            "nelements": 4,
            "elements": [
                "K",
                "Ga",
                "Ge",
                "O"
            ],
            "chemical_system": "Ga-Ge-K-O",
            "density": 3.596520987125659,
            "density_atomic": 0.06176646659287875,
            "volume": 2719.92246387248,
            "volume_molar": 9.749854722456005,
            "formula_full": "K24 Ga24 Ge24 O96",
            "formula_reduced": "KGaGeO4",
            "formula_anonymous": "ABCD4",
            "energy": -1064.02826142,
            "energy_per_atom": -6.333501556071429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -998.0762614200002,
            "band_gap": 3.197,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:15.209000Z",
            "spacegroup": 173
        },
        {
            "id": "mp-695976",
            "created_at": "2022-09-04T14:42:56.185293Z",
            "structure_string": "Ni4 B24 H64 O72\n1.0\n7.215871 0.000000 0.000000\n0.000000 9.019526 0.000000\n0.000000 3.664753 21.542596\nNi B H O\n4 24 64 72\ndirect\n0.396898 0.637340 0.604923 Ni\n0.896898 0.362660 0.895077 Ni\n0.603102 0.362660 0.395077 Ni\n0.103102 0.637340 0.104923 Ni\n0.100194 0.392525 0.579314 B\n0.600194 0.607475 0.920686 B\n0.899806 0.607475 0.420686 B\n0.399806 0.392525 0.079314 B\n0.266031 0.326434 0.686688 B\n0.766031 0.673566 0.813312 B\n0.733969 0.673566 0.313312 B\n0.233969 0.326434 0.186688 B\n0.325189 0.154638 0.601611 B\n0.825189 0.845362 0.898389 B\n0.674811 0.845362 0.398389 B\n0.174811 0.154638 0.101611 B\n0.107046 0.192579 0.512340 B\n0.607046 0.807421 0.987660 B\n0.892954 0.807421 0.487660 B\n0.392954 0.192579 0.012340 B\n0.937229 0.414369 0.678057 B\n0.437229 0.585631 0.821943 B\n0.062771 0.585631 0.321943 B\n0.562771 0.414369 0.178057 B\n0.366973 0.060684 0.712408 B\n0.866973 0.939316 0.787592 B\n0.633027 0.939316 0.287592 B\n0.133027 0.060684 0.212408 B\n0.136910 0.595566 0.524284 H\n0.636910 0.404434 0.975716 H\n0.863090 0.404434 0.475716 H\n0.363090 0.595566 0.024284 H\n0.522873 0.429274 0.689543 H\n0.022873 0.570726 0.810457 H\n0.477127 0.570726 0.310457 H\n0.977127 0.429274 0.189543 H\n0.538822 0.313862 0.582225 H\n0.038822 0.686138 0.917775 H\n0.461178 0.686138 0.417775 H\n0.961178 0.313862 0.082225 H\n0.112048 0.080902 0.437996 H\n0.612048 0.919098 0.062004 H\n0.887952 0.919098 0.562004 H\n0.387952 0.080902 0.937996 H\n0.785836 0.443067 0.750825 H\n0.285836 0.556933 0.749175 H\n0.214164 0.556933 0.249175 H\n0.714164 0.443067 0.250825 H\n0.457146 0.854996 0.748076 H\n0.957146 0.145004 0.751924 H\n0.542854 0.145004 0.251924 H\n0.042854 0.854996 0.248076 H\n0.639150 0.541625 0.519580 H\n0.139150 0.458375 0.980420 H\n0.360850 0.458375 0.480420 H\n0.860850 0.541625 0.019580 H\n0.737639 0.507151 0.583837 H\n0.237639 0.492849 0.916163 H\n0.262361 0.492849 0.416163 H\n0.762361 0.507151 0.083837 H\n0.087309 0.764867 0.613607 H\n0.587309 0.235133 0.886393 H\n0.912691 0.235133 0.386393 H\n0.412691 0.764867 0.113607 H\n0.235470 0.842425 0.651095 H\n0.735470 0.157575 0.848905 H\n0.764530 0.157575 0.348905 H\n0.264530 0.842425 0.151095 H\n0.657301 0.833070 0.640845 H\n0.157301 0.166930 0.859155 H\n0.342699 0.166930 0.359155 H\n0.842699 0.833070 0.140845 H\n0.632899 0.688186 0.694220 H\n0.132899 0.311814 0.805780 H\n0.367101 0.311814 0.305780 H\n0.867101 0.688186 0.194220 H\n0.438278 0.818146 0.492134 H\n0.938278 0.181854 0.007866 H\n0.561722 0.181854 0.507866 H\n0.061722 0.818146 0.992134 H\n0.332788 0.911859 0.538488 H\n0.832788 0.088141 0.961512 H\n0.667212 0.088141 0.461512 H\n0.167212 0.911859 0.038488 H\n0.146434 0.978120 0.343289 H\n0.646434 0.021880 0.156711 H\n0.853566 0.021880 0.656711 H\n0.353566 0.978120 0.843289 H\n0.305195 0.916037 0.391885 H\n0.805195 0.083963 0.108115 H\n0.694805 0.083963 0.608115 H\n0.194805 0.916037 0.891885 H\n0.215394 0.525592 0.553493 O\n0.715394 0.474408 0.946507 O\n0.784606 0.474408 0.446507 O\n0.284606 0.525592 0.053493 O\n0.392691 0.457820 0.679276 O\n0.892691 0.542180 0.820724 O\n0.607309 0.542180 0.320724 O\n0.107309 0.457820 0.179276 O\n0.515361 0.206519 0.581638 O\n0.015361 0.793481 0.918362 O\n0.484639 0.793481 0.418362 O\n0.984639 0.206519 0.081638 O\n0.048468 0.160972 0.456076 O\n0.548468 0.839028 0.043924 O\n0.951532 0.839028 0.543924 O\n0.451532 0.160972 0.956076 O\n0.771181 0.439778 0.706356 O\n0.271181 0.560222 0.793644 O\n0.228819 0.560222 0.293644 O\n0.728819 0.439778 0.206356 O\n0.422095 0.949705 0.760761 O\n0.922095 0.050295 0.739239 O\n0.577905 0.050295 0.239239 O\n0.077905 0.949705 0.260761 O\n0.032997 0.321262 0.528682 O\n0.532997 0.678738 0.971318 O\n0.967003 0.678738 0.471318 O\n0.467003 0.321262 0.028682 O\n0.940287 0.436097 0.614438 O\n0.440287 0.563903 0.885562 O\n0.059713 0.563903 0.385562 O\n0.559713 0.436097 0.114438 O\n0.089265 0.365671 0.713084 O\n0.589265 0.634329 0.786916 O\n0.910735 0.634329 0.286916 O\n0.410735 0.365671 0.213084 O\n0.347758 0.201382 0.726372 O\n0.847758 0.798618 0.773628 O\n0.652242 0.798618 0.273628 O\n0.152242 0.201382 0.226372 O\n0.230273 0.104502 0.549893 O\n0.730273 0.895498 0.950107 O\n0.769727 0.895498 0.450107 O\n0.269727 0.104502 0.049893 O\n0.334797 0.029748 0.653706 O\n0.834797 0.970252 0.846294 O\n0.665203 0.970252 0.346294 O\n0.165203 0.029748 0.153706 O\n0.221822 0.286068 0.622265 O\n0.721822 0.713932 0.877735 O\n0.778178 0.713932 0.377735 O\n0.278178 0.286068 0.122265 O\n0.611493 0.518126 0.564138 O\n0.111493 0.481874 0.935862 O\n0.388507 0.481874 0.435862 O\n0.888507 0.518126 0.064138 O\n0.184912 0.743119 0.645566 O\n0.684912 0.256881 0.854434 O\n0.815088 0.256881 0.354434 O\n0.315088 0.743119 0.145566 O\n0.580522 0.742701 0.655640 O\n0.080522 0.257299 0.844360 O\n0.419478 0.257299 0.344360 O\n0.919478 0.742701 0.155640 O\n0.413467 0.824698 0.536540 O\n0.913467 0.175302 0.963460 O\n0.586533 0.175302 0.463460 O\n0.086533 0.824698 0.036540 O\n0.213174 0.998602 0.380409 O\n0.713174 0.001398 0.119591 O\n0.786826 0.001398 0.619591 O\n0.286826 0.998602 0.880409 O\n",
            "nsites": 164,
            "nelements": 4,
            "elements": [
                "Ni",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-H-Ni-O",
            "density": 2.026063675684106,
            "density_atomic": 0.1169696891233449,
            "volume": 1402.072632911433,
            "volume_molar": 5.148462653131986,
            "formula_full": "Ni4 B24 H64 O72",
            "formula_reduced": "NiB6(H8O9)2",
            "formula_anonymous": "AB6C16D18",
            "energy": -1057.62606108,
            "energy_per_atom": -6.448939396829268,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -997.99806108,
            "band_gap": 4.9323,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0728285,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:58.230000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1076163",
            "created_at": "2022-09-04T14:39:46.028983Z",
            "structure_string": "Sr16 Ca16 Mn28 Fe4 O80\n1.0\n-0.008200 -0.009132 10.991612\n11.122315 0.002637 -0.008376\n-5.552790 15.878424 -5.504274\nSr Ca Mn Fe O\n16 16 28 4 80\ndirect\n0.309017 0.559749 0.610644 Sr\n0.807055 0.056769 0.608240 Sr\n0.809793 0.558583 0.610965 Sr\n0.195991 0.439735 0.386864 Sr\n0.200271 0.442766 0.892584 Sr\n0.697073 0.439796 0.387189 Sr\n0.697877 0.938465 0.386362 Sr\n0.700974 0.940499 0.893065 Sr\n0.059971 0.299536 0.609620 Sr\n0.060068 0.802061 0.609507 Sr\n0.559432 0.301507 0.610575 Sr\n0.558763 0.801011 0.609413 Sr\n0.446523 0.197280 0.386968 Sr\n0.450127 0.200542 0.890307 Sr\n0.947600 0.196026 0.386518 Sr\n0.949441 0.200126 0.891741 Sr\n0.305276 0.064631 0.106486 Ca\n0.306638 0.057975 0.603343 Ca\n0.307386 0.564129 0.108030 Ca\n0.804000 0.062917 0.105445 Ca\n0.806630 0.562608 0.107822 Ca\n0.201108 0.936818 0.391965 Ca\n0.202339 0.938919 0.897399 Ca\n0.702425 0.440359 0.897786 Ca\n0.055484 0.291959 0.106650 Ca\n0.055598 0.792814 0.106500 Ca\n0.554437 0.293207 0.105628 Ca\n0.554853 0.792084 0.104896 Ca\n0.448823 0.704387 0.392668 Ca\n0.450675 0.707466 0.896527 Ca\n0.950851 0.704873 0.392279 Ca\n0.951801 0.707914 0.898261 Ca\n0.004747 0.998274 0.497797 Mn\n0.002630 0.499879 0.498048 Mn\n0.502259 0.998449 0.497598 Mn\n0.507095 0.501731 0.002626 Mn\n0.502126 0.499267 0.497446 Mn\n0.257768 0.252235 0.003415 Mn\n0.253155 0.247953 0.498142 Mn\n0.257272 0.752394 0.002890 Mn\n0.252605 0.749330 0.496988 Mn\n0.757595 0.253974 0.004859 Mn\n0.752936 0.249272 0.498484 Mn\n0.752764 0.747704 0.496413 Mn\n0.106564 0.088734 0.244713 Mn\n0.116291 0.093539 0.752666 Mn\n0.107670 0.600214 0.246170 Mn\n0.113944 0.603647 0.754896 Mn\n0.605208 0.089680 0.242675 Mn\n0.607748 0.098842 0.749891 Mn\n0.605530 0.594231 0.245545 Mn\n0.612886 0.597606 0.756964 Mn\n0.355487 0.407539 0.245822 Mn\n0.366110 0.406067 0.753939 Mn\n0.352754 0.897749 0.245751 Mn\n0.360059 0.903011 0.753107 Mn\n0.856747 0.408193 0.246686 Mn\n0.861507 0.411469 0.757861 Mn\n0.859896 0.895294 0.243414 Mn\n0.866973 0.900882 0.752977 Mn\n0.008605 0.000910 0.003781 Fe\n0.007107 0.501683 0.003615 Fe\n0.506041 0.001348 0.002946 Fe\n0.756619 0.749256 0.002149 Fe\n0.127938 0.118188 0.492779 O\n0.129940 0.122051 0.994405 O\n0.120813 0.623730 0.489574 O\n0.126477 0.627806 0.993354 O\n0.624322 0.122011 0.493876 O\n0.629507 0.127412 0.997316 O\n0.622055 0.623332 0.491250 O\n0.624185 0.618793 0.991376 O\n0.139210 0.380148 0.015915 O\n0.129798 0.376381 0.503837 O\n0.137013 0.878809 0.011849 O\n0.131679 0.877057 0.500646 O\n0.639608 0.382761 0.015605 O\n0.628896 0.376448 0.502166 O\n0.633240 0.877560 0.013013 O\n0.626101 0.872208 0.499186 O\n0.371152 0.116111 0.491533 O\n0.373083 0.120740 0.992968 O\n0.375521 0.623595 0.491898 O\n0.378120 0.626465 0.993697 O\n0.877018 0.121274 0.495740 O\n0.878249 0.122887 0.997220 O\n0.875548 0.622299 0.491582 O\n0.874551 0.616797 0.990031 O\n0.387871 0.386268 0.015567 O\n0.379100 0.376760 0.503064 O\n0.383275 0.882920 0.013408 O\n0.378500 0.879409 0.504108 O\n0.884465 0.381701 0.013722 O\n0.879099 0.376981 0.502558 O\n0.888451 0.882148 0.014277 O\n0.880664 0.874210 0.500503 O\n0.088207 0.091296 0.134476 O\n0.084976 0.075839 0.638012 O\n0.078450 0.595078 0.132172 O\n0.071734 0.583022 0.637793 O\n0.578705 0.093517 0.132117 O\n0.574014 0.079142 0.634454 O\n0.578369 0.596949 0.134919 O\n0.575573 0.580507 0.641247 O\n0.431794 0.417654 0.359212 O\n0.445141 0.414670 0.868248 O\n0.433376 0.912675 0.360557 O\n0.446666 0.914896 0.869444 O\n0.933285 0.417081 0.359942 O\n0.946457 0.414342 0.870744 O\n0.938308 0.913581 0.358948 O\n0.948303 0.911691 0.869509 O\n0.337403 0.292849 0.137869 O\n0.329230 0.300287 0.639155 O\n0.326861 0.788427 0.133294 O\n0.319742 0.802915 0.637979 O\n0.836029 0.294471 0.137736 O\n0.825657 0.312977 0.642664 O\n0.832623 0.784101 0.132250 O\n0.824453 0.805400 0.637148 O\n0.182081 0.190625 0.358648 O\n0.192786 0.204428 0.864951 O\n0.190995 0.699026 0.360715 O\n0.201543 0.710524 0.870257 O\n0.682970 0.186034 0.357787 O\n0.685869 0.207136 0.865062 O\n0.691474 0.689821 0.359684 O\n0.699026 0.704670 0.869586 O\n0.426938 0.059239 0.239795 O\n0.428131 0.065542 0.743907 O\n0.427628 0.578125 0.248378 O\n0.437857 0.580330 0.760099 O\n0.927544 0.062243 0.238174 O\n0.941668 0.065667 0.750908 O\n0.928717 0.576286 0.248519 O\n0.938323 0.578639 0.762040 O\n0.176226 0.428224 0.239624 O\n0.190350 0.439162 0.752040 O\n0.175404 0.919347 0.247028 O\n0.187110 0.928176 0.760670 O\n0.675153 0.425108 0.239045 O\n0.684861 0.431294 0.760845 O\n0.681163 0.923739 0.238585 O\n0.692378 0.940119 0.753224 O\n",
            "nsites": 144,
            "nelements": 5,
            "elements": [
                "Sr",
                "Ca",
                "Mn",
                "Fe",
                "O"
            ],
            "chemical_system": "Ca-Fe-Mn-O-Sr",
            "density": 4.3505626016456445,
            "density_atomic": 0.07419726697305304,
            "volume": 1940.7722935711083,
            "volume_molar": 8.116391621523096,
            "formula_full": "Sr16 Ca16 Mn28 Fe4 O80",
            "formula_reduced": "Sr4Ca4Mn7FeO20",
            "formula_anonymous": "AB4C4D7E20",
            "energy": -1108.68111948,
            "energy_per_atom": -7.699174440833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -997.99311948,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 131.550264,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.578000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1205269",
            "created_at": "2022-09-04T14:41:23.249289Z",
            "structure_string": "Na8 B48 S32 I48 O64\n1.0\n0.000000 0.000000 11.796575\n20.442079 0.000000 0.000000\n0.000000 20.743788 0.000000\nNa B S I O\n8 48 32 48 64\ndirect\n0.689556 0.021328 0.108935 Na\n0.810444 0.521328 0.391065 Na\n0.310444 0.978672 0.608935 Na\n0.189556 0.478672 0.891065 Na\n0.310444 0.978672 0.891065 Na\n0.189556 0.478672 0.608935 Na\n0.689556 0.021328 0.391065 Na\n0.810444 0.521328 0.108935 Na\n0.106882 0.713309 0.179627 B\n0.393118 0.213309 0.320373 B\n0.893118 0.286691 0.679627 B\n0.606882 0.786691 0.820373 B\n0.893118 0.286691 0.820373 B\n0.606882 0.786691 0.679627 B\n0.106882 0.713309 0.320373 B\n0.393118 0.213309 0.179627 B\n0.096961 0.662296 0.250000 B\n0.403039 0.162296 0.250000 B\n0.903039 0.337704 0.750000 B\n0.596961 0.837704 0.750000 B\n0.228201 0.668034 0.206652 B\n0.271799 0.168034 0.293348 B\n0.771799 0.331966 0.706652 B\n0.728201 0.831966 0.793348 B\n0.771799 0.331966 0.793348 B\n0.728201 0.831966 0.706652 B\n0.228201 0.668034 0.293348 B\n0.271799 0.168034 0.206652 B\n0.244208 0.751026 0.180039 B\n0.255792 0.251026 0.319961 B\n0.755792 0.248974 0.680039 B\n0.744208 0.748974 0.819961 B\n0.755792 0.248974 0.819961 B\n0.744208 0.748974 0.680039 B\n0.244208 0.751026 0.319961 B\n0.255792 0.251026 0.180039 B\n0.122327 0.796086 0.206680 B\n0.377673 0.296086 0.293320 B\n0.877673 0.203914 0.706680 B\n0.622327 0.703914 0.793320 B\n0.877673 0.203914 0.793320 B\n0.622327 0.703914 0.706680 B\n0.122327 0.796086 0.293320 B\n0.377673 0.296086 0.206680 B\n0.031521 0.741288 0.250000 B\n0.468479 0.241288 0.250000 B\n0.968479 0.258712 0.750000 B\n0.531521 0.758712 0.750000 B\n0.319234 0.722912 0.250000 B\n0.180766 0.222912 0.250000 B\n0.680766 0.277088 0.750000 B\n0.819234 0.777088 0.750000 B\n0.253677 0.802049 0.250000 B\n0.246323 0.302049 0.250000 B\n0.746323 0.197951 0.750000 B\n0.753677 0.697951 0.750000 B\n0.882474 0.158308 0.060454 S\n0.617526 0.658308 0.439546 S\n0.117526 0.841692 0.560454 S\n0.382474 0.341692 0.939546 S\n0.117526 0.841692 0.939546 S\n0.382474 0.341692 0.560454 S\n0.882474 0.158308 0.439546 S\n0.617526 0.658308 0.060454 S\n0.709320 0.357414 0.047280 S\n0.790680 0.857414 0.452720 S\n0.290680 0.642586 0.547280 S\n0.209320 0.142586 0.952720 S\n0.290680 0.642586 0.952720 S\n0.209320 0.142586 0.547280 S\n0.709320 0.357414 0.452720 S\n0.790680 0.857414 0.047280 S\n0.376468 0.955875 0.075342 S\n0.123532 0.455875 0.424658 S\n0.623532 0.044125 0.575342 S\n0.876468 0.544125 0.924658 S\n0.623532 0.044125 0.924658 S\n0.876468 0.544125 0.575342 S\n0.376468 0.955875 0.424658 S\n0.123532 0.455875 0.075342 S\n0.921752 0.030615 0.250000 S\n0.578248 0.530615 0.250000 S\n0.078248 0.969385 0.750000 S\n0.421752 0.469385 0.750000 S\n0.848951 0.390126 0.250000 S\n0.651049 0.890126 0.250000 S\n0.151049 0.609874 0.750000 S\n0.348951 0.109874 0.750000 S\n0.021748 0.688938 0.089751 I\n0.478252 0.188938 0.410249 I\n0.978252 0.311062 0.589751 I\n0.521748 0.811062 0.910249 I\n0.978252 0.311062 0.910249 I\n0.521748 0.811062 0.589751 I\n0.021748 0.688938 0.410249 I\n0.478252 0.188938 0.089751 I\n0.994276 0.573792 0.250000 I\n0.505724 0.073792 0.250000 I\n0.005724 0.426208 0.750000 I\n0.494276 0.926208 0.750000 I\n0.297721 0.586613 0.151423 I\n0.202279 0.086613 0.348577 I\n0.702279 0.413387 0.651423 I\n0.797721 0.913387 0.848577 I\n0.702279 0.413387 0.848577 I\n0.797721 0.913387 0.651423 I\n0.297721 0.586613 0.348577 I\n0.202279 0.086613 0.151423 I\n0.333771 0.775383 0.091044 I\n0.166229 0.275383 0.408956 I\n0.666229 0.224617 0.591044 I\n0.833771 0.724617 0.908956 I\n0.666229 0.224617 0.908956 I\n0.833771 0.724617 0.591044 I\n0.333771 0.775383 0.408956 I\n0.166229 0.275383 0.091044 I\n0.055640 0.878150 0.151538 I\n0.444360 0.378150 0.348462 I\n0.944360 0.121850 0.651538 I\n0.555640 0.621850 0.848462 I\n0.944360 0.121850 0.848462 I\n0.555640 0.621850 0.651538 I\n0.055640 0.878150 0.348462 I\n0.444360 0.378150 0.151538 I\n0.847696 0.751337 0.250000 I\n0.652304 0.251337 0.250000 I\n0.152304 0.248663 0.750000 I\n0.347696 0.748663 0.750000 I\n0.503272 0.710763 0.250000 I\n0.996728 0.210763 0.250000 I\n0.496728 0.289237 0.750000 I\n0.003272 0.789237 0.750000 I\n0.348643 0.893530 0.250000 I\n0.151357 0.393530 0.250000 I\n0.651357 0.106470 0.750000 I\n0.848643 0.606470 0.750000 I\n0.958392 0.111972 0.030147 O\n0.541608 0.611972 0.469853 O\n0.041608 0.888028 0.530147 O\n0.458392 0.388028 0.969853 O\n0.041608 0.888028 0.969853 O\n0.458392 0.388028 0.530147 O\n0.958392 0.111972 0.469853 O\n0.541608 0.611972 0.030147 O\n0.783147 0.131798 0.093233 O\n0.716853 0.631798 0.406767 O\n0.216853 0.868202 0.593233 O\n0.283147 0.368202 0.906767 O\n0.216853 0.868202 0.906767 O\n0.283147 0.368202 0.593233 O\n0.783147 0.131798 0.406767 O\n0.716853 0.631798 0.093233 O\n0.794818 0.316384 0.077108 O\n0.705182 0.816384 0.422892 O\n0.205182 0.683616 0.577108 O\n0.294818 0.183616 0.922892 O\n0.205182 0.683616 0.922892 O\n0.294818 0.183616 0.577108 O\n0.794818 0.316384 0.422892 O\n0.705182 0.816384 0.077108 O\n0.722946 0.427929 0.053669 O\n0.777054 0.927929 0.446331 O\n0.277054 0.572071 0.553669 O\n0.222946 0.072071 0.946331 O\n0.277054 0.572071 0.946331 O\n0.222946 0.072071 0.553669 O\n0.722946 0.427929 0.446331 O\n0.777054 0.927929 0.053669 O\n0.494661 0.973534 0.085406 O\n0.005339 0.473534 0.414594 O\n0.505339 0.026466 0.585406 O\n0.994661 0.526466 0.914594 O\n0.505339 0.026466 0.914594 O\n0.994661 0.526466 0.585406 O\n0.494661 0.973534 0.414594 O\n0.005339 0.473534 0.085406 O\n0.338091 0.952691 0.008737 O\n0.161909 0.452691 0.491263 O\n0.661909 0.047309 0.508737 O\n0.838091 0.547309 0.991263 O\n0.661909 0.047309 0.991263 O\n0.838091 0.547309 0.508737 O\n0.338091 0.952691 0.491263 O\n0.161909 0.452691 0.008737 O\n0.856938 0.030911 0.190301 O\n0.643062 0.530911 0.309699 O\n0.143062 0.969089 0.690301 O\n0.356938 0.469089 0.809699 O\n0.143062 0.969089 0.809699 O\n0.356938 0.469089 0.690301 O\n0.856938 0.030911 0.309699 O\n0.643062 0.530911 0.190301 O\n0.832664 0.426638 0.190423 O\n0.667336 0.926638 0.309577 O\n0.167336 0.573362 0.690423 O\n0.332664 0.073362 0.809577 O\n0.167336 0.573362 0.809577 O\n0.332664 0.073362 0.690423 O\n0.832664 0.426638 0.309577 O\n0.667336 0.926638 0.190423 O\n",
            "nsites": 200,
            "nelements": 5,
            "elements": [
                "Na",
                "B",
                "S",
                "I",
                "O"
            ],
            "chemical_system": "B-I-Na-O-S",
            "density": 2.9359159324514543,
            "density_atomic": 0.03998167041936675,
            "volume": 5002.29224797776,
            "volume_molar": 15.062254019989448,
            "formula_full": "Na8 B48 S32 I48 O64",
            "formula_reduced": "NaB6S4(I3O4)2",
            "formula_anonymous": "AB4C6D6E8",
            "energy": -1060.01582938,
            "energy_per_atom": -5.3000791469,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -997.85582938,
            "band_gap": 1.1801,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2e-07,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:18.329000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1213094",
            "created_at": "2022-09-04T14:46:21.470113Z",
            "structure_string": "K4 Na4 Cu4 P16 H72 N16 O60\n1.0\n6.504483 0.000000 0.000000\n0.000000 14.762590 0.000000\n0.000000 0.000000 19.472665\nK Na Cu P H N O\n4 4 4 16 72 16 60\ndirect\n0.163035 0.250000 0.159118 K\n0.836965 0.750000 0.840882 K\n0.336965 0.750000 0.659118 K\n0.663035 0.250000 0.340882 K\n0.203737 0.250000 0.753076 Na\n0.796263 0.750000 0.246924 Na\n0.296263 0.750000 0.253076 Na\n0.703737 0.250000 0.746924 Na\n0.006191 0.250000 0.474184 Cu\n0.993809 0.750000 0.525816 Cu\n0.493809 0.750000 0.974184 Cu\n0.506191 0.250000 0.025816 Cu\n0.226654 0.080846 0.538194 P\n0.773346 0.919154 0.461806 P\n0.273346 0.919154 0.038194 P\n0.773346 0.580846 0.461806 P\n0.726654 0.080846 0.961806 P\n0.226654 0.419154 0.538194 P\n0.726654 0.419154 0.961806 P\n0.273346 0.580846 0.038194 P\n0.051222 0.060043 0.395698 P\n0.948778 0.939957 0.604302 P\n0.448778 0.939957 0.895698 P\n0.948778 0.560043 0.604302 P\n0.551222 0.060043 0.104302 P\n0.051222 0.439957 0.395698 P\n0.551222 0.439957 0.104302 P\n0.448778 0.560043 0.895698 P\n0.048282 0.697272 0.125383 H\n0.951718 0.302728 0.874617 H\n0.451718 0.302728 0.625383 H\n0.951718 0.197272 0.874617 H\n0.548282 0.697272 0.374617 H\n0.048282 0.802728 0.125383 H\n0.548282 0.802728 0.374617 H\n0.451718 0.197272 0.625383 H\n0.415212 0.055988 0.314898 H\n0.584788 0.944012 0.685102 H\n0.084788 0.944012 0.814898 H\n0.584788 0.555988 0.685102 H\n0.915212 0.055988 0.185102 H\n0.415212 0.444012 0.314898 H\n0.915212 0.444012 0.185102 H\n0.084788 0.555988 0.814898 H\n0.083475 0.196906 0.995490 H\n0.916525 0.803094 0.004510 H\n0.416525 0.803094 0.495490 H\n0.916525 0.696906 0.004510 H\n0.583475 0.196906 0.504510 H\n0.083475 0.303094 0.995490 H\n0.583475 0.303094 0.504510 H\n0.416525 0.696906 0.495490 H\n0.197148 0.198567 0.315849 H\n0.802852 0.801433 0.684151 H\n0.302852 0.801433 0.815849 H\n0.802852 0.698567 0.684151 H\n0.697148 0.198567 0.184151 H\n0.197148 0.301433 0.315849 H\n0.697148 0.301433 0.184151 H\n0.302852 0.698567 0.815849 H\n0.077131 0.586721 0.308733 H\n0.922869 0.413279 0.691267 H\n0.422869 0.413279 0.808733 H\n0.922869 0.086721 0.691267 H\n0.577131 0.586721 0.191267 H\n0.077131 0.913279 0.308733 H\n0.577131 0.913279 0.191267 H\n0.422869 0.086721 0.808733 H\n0.021668 0.664914 0.357656 H\n0.978332 0.335086 0.642344 H\n0.478332 0.335086 0.857656 H\n0.978332 0.164914 0.642344 H\n0.521668 0.664914 0.142344 H\n0.021668 0.835086 0.357656 H\n0.521668 0.835086 0.142344 H\n0.478332 0.164914 0.857656 H\n0.317115 0.516462 0.449478 H\n0.682885 0.483538 0.550522 H\n0.182885 0.483538 0.949478 H\n0.682885 0.016462 0.550522 H\n0.817115 0.516462 0.050522 H\n0.317115 0.983538 0.449478 H\n0.817115 0.983538 0.050522 H\n0.182885 0.016462 0.949478 H\n0.085228 0.058405 0.242618 H\n0.914772 0.941595 0.757382 H\n0.414772 0.941595 0.742618 H\n0.914772 0.558405 0.757382 H\n0.585228 0.058405 0.257382 H\n0.085228 0.441595 0.242618 H\n0.585228 0.441595 0.257382 H\n0.414772 0.558405 0.742618 H\n0.219634 0.018378 0.129713 H\n0.780366 0.981622 0.870287 H\n0.280366 0.981622 0.629713 H\n0.780366 0.518378 0.870287 H\n0.719634 0.018378 0.370287 H\n0.219634 0.481622 0.129713 H\n0.719634 0.481622 0.370287 H\n0.280366 0.518378 0.629713 H\n0.212462 0.034766 0.458999 N\n0.787538 0.965234 0.541001 N\n0.287538 0.965234 0.958999 N\n0.787538 0.534766 0.541001 N\n0.712462 0.034766 0.041001 N\n0.212462 0.465234 0.458999 N\n0.712462 0.465234 0.041001 N\n0.287538 0.534766 0.958999 N\n0.332857 0.001058 0.093721 N\n0.667143 0.998942 0.906279 N\n0.167143 0.998942 0.593721 N\n0.667143 0.501058 0.906279 N\n0.832857 0.001058 0.406279 N\n0.332857 0.498942 0.093721 N\n0.832857 0.498942 0.406279 N\n0.167143 0.501058 0.593721 N\n0.062211 0.070014 0.193113 O\n0.937789 0.929986 0.806886 O\n0.437789 0.929986 0.693114 O\n0.937789 0.570014 0.806886 O\n0.562211 0.070014 0.306887 O\n0.062211 0.429986 0.193113 O\n0.562211 0.429986 0.306887 O\n0.437789 0.570014 0.693114 O\n0.268150 0.250000 0.294698 O\n0.731850 0.750000 0.705302 O\n0.231850 0.750000 0.794698 O\n0.768150 0.250000 0.205302 O\n0.150355 0.032611 0.327985 O\n0.849645 0.967389 0.672015 O\n0.349645 0.967389 0.827985 O\n0.849645 0.532611 0.672015 O\n0.650355 0.032611 0.172015 O\n0.150355 0.467389 0.327985 O\n0.650355 0.467389 0.172015 O\n0.349645 0.532611 0.827985 O\n0.054451 0.609500 0.053144 O\n0.945549 0.390500 0.946856 O\n0.445549 0.390500 0.553144 O\n0.945549 0.109500 0.946856 O\n0.554451 0.609500 0.446856 O\n0.054451 0.890500 0.053144 O\n0.554451 0.890500 0.446856 O\n0.445549 0.109500 0.553144 O\n0.058290 0.153723 0.542119 O\n0.941710 0.846277 0.457881 O\n0.441710 0.846277 0.042119 O\n0.941710 0.653723 0.457881 O\n0.558290 0.153723 0.957881 O\n0.058290 0.346277 0.542119 O\n0.558290 0.346277 0.957881 O\n0.441710 0.653723 0.042119 O\n0.452792 0.250000 0.656643 O\n0.547208 0.750000 0.343357 O\n0.047208 0.750000 0.156643 O\n0.952792 0.250000 0.843357 O\n0.500146 0.161197 0.102323 O\n0.499854 0.838803 0.897677 O\n-0.000146 0.838803 0.602323 O\n0.499854 0.661197 0.897677 O\n0.000146 0.161197 0.397677 O\n0.500146 0.338803 0.102323 O\n0.000146 0.338803 0.397677 O\n-0.000146 0.661197 0.602323 O\n0.146029 0.250000 0.018502 O\n0.853971 0.750000 0.981498 O\n0.353971 0.750000 0.518502 O\n0.646029 0.250000 0.481498 O\n0.045420 0.652259 0.308768 O\n0.954580 0.347741 0.691232 O\n0.454580 0.347741 0.808768 O\n0.954580 0.152259 0.691232 O\n0.545420 0.652259 0.191232 O\n0.045420 0.847741 0.308768 O\n0.545420 0.847741 0.191232 O\n0.454580 0.152259 0.808768 O\n",
            "nsites": 176,
            "nelements": 7,
            "elements": [
                "K",
                "Na",
                "Cu",
                "P",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "Cu-H-K-N-Na-O-P",
            "density": 2.002389503651201,
            "density_atomic": 0.0941265051763746,
            "volume": 1869.824016840002,
            "volume_molar": 6.397922401044945,
            "formula_full": "K4 Na4 Cu4 P16 H72 N16 O60",
            "formula_reduced": "KNaCuP4H18N4O15",
            "formula_anonymous": "ABCD4E4F15G18",
            "energy": -1044.78306292,
            "energy_per_atom": -5.936267402954545,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -997.78706292,
            "band_gap": 0.9878,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0000003,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:24.421000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1076874",
            "created_at": "2022-09-04T14:42:18.622855Z",
            "structure_string": "La20 Sm12 Co28 Cu4 O80\n1.0\n-0.002983 -0.006035 10.920404\n11.531381 0.004299 -0.003203\n-5.758273 15.711038 -5.466385\nLa Sm Co Cu O\n20 12 28 4 80\ndirect\n0.306110 0.065365 0.610514 La\n0.307554 0.567456 0.611879 La\n0.805579 0.066889 0.610878 La\n0.805514 0.566858 0.613164 La\n0.194916 0.433233 0.388473 La\n0.187458 0.435117 0.890389 La\n0.192823 0.933354 0.385730 La\n0.693471 0.432946 0.386643 La\n0.694617 0.931908 0.385844 La\n0.054176 0.294956 0.112210 La\n0.056872 0.295637 0.611063 La\n0.053518 0.796904 0.613300 La\n0.556169 0.296469 0.612979 La\n0.444222 0.202859 0.386329 La\n0.445872 0.204976 0.890611 La\n0.443881 0.704163 0.387128 La\n0.442893 0.706858 0.889663 La\n0.943253 0.204146 0.386046 La\n0.941661 0.202896 0.888699 La\n0.944118 0.703167 0.386346 La\n0.297408 0.067508 0.108241 Sm\n0.298952 0.569775 0.109776 Sm\n0.794052 0.065882 0.106719 Sm\n0.799965 0.569709 0.108638 Sm\n0.187664 0.933188 0.892431 Sm\n0.694044 0.433658 0.892489 Sm\n0.690734 0.929649 0.889175 Sm\n0.048387 0.789308 0.108860 Sm\n0.551240 0.289660 0.109599 Sm\n0.548258 0.793169 0.109202 Sm\n0.554192 0.793513 0.611125 Sm\n0.940808 0.713648 0.892311 Sm\n0.004226 0.999337 0.499370 Co\n0.004138 0.500932 0.499953 Co\n0.504868 0.998597 0.500092 Co\n0.504975 0.500512 0.003307 Co\n0.504874 0.500226 0.499793 Co\n0.254924 0.251380 0.001475 Co\n0.254407 0.249354 0.499344 Co\n0.253142 0.752159 0.002335 Co\n0.255153 0.750856 0.500962 Co\n0.753860 0.249972 0.001445 Co\n0.753996 0.249718 0.499434 Co\n0.753553 0.749754 0.499819 Co\n0.105513 0.092338 0.248362 Co\n0.109641 0.093864 0.752773 Co\n0.106412 0.596812 0.249109 Co\n0.106855 0.598954 0.753458 Co\n0.605702 0.092917 0.248136 Co\n0.607676 0.093954 0.751923 Co\n0.604720 0.593359 0.244761 Co\n0.610724 0.596669 0.750595 Co\n0.358465 0.404223 0.246168 Co\n0.361177 0.405919 0.752655 Co\n0.354420 0.903477 0.246086 Co\n0.359604 0.904650 0.750112 Co\n0.852604 0.402378 0.244741 Co\n0.855353 0.407778 0.750462 Co\n0.856019 0.904540 0.247512 Co\n0.854166 0.902161 0.749460 Co\n0.999272 0.000500 0.002330 Cu\n0.000263 0.502372 0.000709 Cu\n0.499877 0.999003 0.001325 Cu\n0.751068 0.750285 0.001837 Cu\n0.118128 0.118370 0.481918 O\n0.119260 0.119333 0.985749 O\n0.119747 0.619948 0.483911 O\n0.111352 0.624526 0.985295 O\n0.618028 0.115922 0.481650 O\n0.617926 0.116490 0.986029 O\n0.617817 0.619286 0.482806 O\n0.621180 0.616756 0.982034 O\n0.133366 0.384603 0.017596 O\n0.135733 0.381751 0.516669 O\n0.130771 0.881468 0.018689 O\n0.136384 0.880768 0.518386 O\n0.635610 0.380082 0.022357 O\n0.635181 0.382410 0.516977 O\n0.632036 0.877749 0.017721 O\n0.634758 0.878875 0.520563 O\n0.368264 0.111694 0.482583 O\n0.364397 0.109718 0.983432 O\n0.370209 0.615432 0.483450 O\n0.367886 0.615395 0.987437 O\n0.868553 0.113380 0.482024 O\n0.861002 0.106745 0.980397 O\n0.868283 0.615388 0.481430 O\n0.866588 0.614904 0.985099 O\n0.386497 0.390010 0.023961 O\n0.385679 0.387023 0.516847 O\n0.383077 0.890797 0.020124 O\n0.389359 0.883464 0.519190 O\n0.878461 0.393044 0.015289 O\n0.885325 0.386798 0.516107 O\n0.877690 0.884182 0.014960 O\n0.884312 0.884130 0.515926 O\n0.117860 0.125546 0.151049 O\n0.089727 0.111144 0.642309 O\n0.118551 0.626418 0.150817 O\n0.089582 0.612860 0.642380 O\n0.615695 0.124157 0.149927 O\n0.592456 0.114082 0.642985 O\n0.608187 0.620894 0.142100 O\n0.591932 0.614070 0.640701 O\n0.449826 0.387243 0.356676 O\n0.462533 0.388559 0.860154 O\n0.447137 0.887600 0.357203 O\n0.469146 0.876296 0.849924 O\n0.946504 0.389739 0.357002 O\n0.954677 0.375704 0.850687 O\n0.945769 0.889700 0.359269 O\n0.965857 0.878394 0.850616 O\n0.354447 0.274264 0.141283 O\n0.340477 0.280224 0.641676 O\n0.356585 0.776797 0.141918 O\n0.350968 0.780565 0.641284 O\n0.849352 0.273515 0.139562 O\n0.837926 0.282561 0.639695 O\n0.867684 0.774362 0.149896 O\n0.839989 0.778262 0.639595 O\n0.197835 0.218931 0.359250 O\n0.204059 0.222562 0.860694 O\n0.195561 0.721877 0.360463 O\n0.207703 0.725176 0.861134 O\n0.697200 0.218961 0.359524 O\n0.699222 0.223353 0.860456 O\n0.696009 0.718615 0.356751 O\n0.717551 0.725481 0.850477 O\n0.417743 0.066885 0.244116 O\n0.420450 0.070716 0.750881 O\n0.418650 0.568309 0.243997 O\n0.425248 0.568452 0.750692 O\n0.916836 0.067375 0.243254 O\n0.921787 0.066241 0.749802 O\n0.917852 0.565376 0.243198 O\n0.923438 0.574697 0.757008 O\n0.174432 0.433648 0.250052 O\n0.174744 0.434665 0.751421 O\n0.167721 0.926100 0.244300 O\n0.177132 0.931948 0.756947 O\n0.665822 0.427469 0.243670 O\n0.671462 0.432472 0.756155 O\n0.666828 0.925306 0.243751 O\n0.668960 0.928221 0.750396 O\n",
            "nsites": 144,
            "nelements": 5,
            "elements": [
                "La",
                "Sm",
                "Co",
                "Cu",
                "O"
            ],
            "chemical_system": "Co-Cu-La-O-Sm",
            "density": 6.519054947920905,
            "density_atomic": 0.0727883363841262,
            "volume": 1978.3389366129786,
            "volume_molar": 8.27349690782783,
            "formula_full": "La20 Sm12 Co28 Cu4 O80",
            "formula_reduced": "La5Sm3Co7CuO20",
            "formula_anonymous": "AB3C5D7E20",
            "energy": -1098.48355491,
            "energy_per_atom": -7.628358020208334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -997.65955491,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.5955322,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:45.247000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1199796",
            "created_at": "2022-09-04T14:44:16.624251Z",
            "structure_string": "Gd18 C18 O72\n1.0\n6.118545 -10.597631 0.000000\n6.118545 10.597631 0.000000\n0.000000 0.000000 9.771643\nGd C O\n18 18 72\ndirect\n0.435856 0.221421 0.260063 Gd\n0.778579 0.214435 0.260063 Gd\n0.785565 0.564144 0.260063 Gd\n0.435856 0.221421 0.739937 Gd\n0.778579 0.214435 0.739937 Gd\n0.785565 0.564144 0.739937 Gd\n0.103637 0.555777 0.243777 Gd\n0.444223 0.547860 0.243777 Gd\n0.452140 0.896363 0.243777 Gd\n0.103637 0.555777 0.756223 Gd\n0.444223 0.547860 0.756223 Gd\n0.452140 0.896363 0.756223 Gd\n0.119759 0.889933 0.244595 Gd\n0.110067 0.229826 0.244595 Gd\n0.770174 0.880241 0.244595 Gd\n0.119759 0.889933 0.755405 Gd\n0.110067 0.229826 0.755405 Gd\n0.770174 0.880241 0.755405 Gd\n0.157159 0.471718 0.500000 C\n0.528282 0.685441 0.500000 C\n0.314559 0.842841 0.500000 C\n0.555680 0.426196 0.500000 C\n0.573804 0.129484 0.500000 C\n0.870516 0.444320 0.500000 C\n0.196356 0.027445 0.500000 C\n0.972555 0.168911 0.500000 C\n0.831089 0.803644 0.500000 C\n0.242592 0.781110 0.000000 C\n0.218890 0.461481 0.000000 C\n0.538519 0.757408 0.000000 C\n0.892796 0.795837 0.000000 C\n0.204163 0.096959 0.000000 C\n0.903041 0.107204 0.000000 C\n0.487669 0.355097 0.000000 C\n0.644903 0.132571 0.000000 C\n0.867429 0.512331 0.000000 C\n0.153112 0.576180 0.500000 O\n0.423820 0.576931 0.500000 O\n0.423069 0.846888 0.500000 O\n0.157137 0.421992 0.384085 O\n0.578008 0.735145 0.384085 O\n0.264855 0.842863 0.384085 O\n0.157137 0.421992 0.615915 O\n0.578008 0.735145 0.615915 O\n0.264855 0.842863 0.615915 O\n0.496130 0.303874 0.500000 O\n0.696126 0.192257 0.500000 O\n0.807743 0.503870 0.500000 O\n0.514621 0.099724 0.384580 O\n0.900276 0.414897 0.384580 O\n0.585103 0.485379 0.384580 O\n0.514621 0.099724 0.615420 O\n0.900276 0.414897 0.615420 O\n0.585103 0.485379 0.615420 O\n0.093271 0.919191 0.500000 O\n0.080809 0.174080 0.500000 O\n0.825920 0.906729 0.500000 O\n0.246964 0.078132 0.384671 O\n0.921868 0.168832 0.384671 O\n0.831168 0.753036 0.384671 O\n0.246964 0.078132 0.615329 O\n0.921868 0.168832 0.615329 O\n0.831168 0.753036 0.615329 O\n0.164740 0.529558 0.000000 O\n0.470442 0.635182 0.000000 O\n0.364818 0.835260 0.000000 O\n0.182061 0.754327 0.115435 O\n0.245673 0.427735 0.115435 O\n0.572265 0.817939 0.115435 O\n0.182061 0.754327 0.884565 O\n0.245673 0.427735 0.884565 O\n0.572265 0.817939 0.884565 O\n0.145550 0.975413 0.000000 O\n0.024587 0.170137 0.000000 O\n0.829863 0.854450 0.000000 O\n0.923800 0.766982 0.115907 O\n0.233018 0.156818 0.115907 O\n0.843182 0.076200 0.115907 O\n0.923800 0.766982 0.884093 O\n0.233018 0.156818 0.884093 O\n0.843182 0.076200 0.884093 O\n0.484880 0.247669 0.000000 O\n0.752331 0.237210 0.000000 O\n0.762790 0.515120 0.000000 O\n0.487803 0.405875 0.115743 O\n0.594125 0.081928 0.115743 O\n0.918072 0.512197 0.115743 O\n0.487803 0.405875 0.884257 O\n0.594125 0.081928 0.884257 O\n0.918072 0.512197 0.884257 O\n0.666667 0.333333 0.241444 O\n0.666667 0.333333 0.758556 O\n0.333333 0.666667 0.254443 O\n0.333333 0.666667 0.745557 O\n0.000000 0.000000 0.256350 O\n0.000000 0.000000 0.743650 O\n0.992454 0.335793 0.190969 O\n0.664207 0.656661 0.190969 O\n0.343339 0.007546 0.190969 O\n0.992454 0.335793 0.809031 O\n0.664207 0.656661 0.809031 O\n0.343339 0.007546 0.809031 O\n0.007774 0.675832 0.309196 O\n0.324168 0.331943 0.309196 O\n0.668057 0.992226 0.309196 O\n0.007774 0.675832 0.690804 O\n0.324168 0.331943 0.690804 O\n0.668057 0.992226 0.690804 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Gd",
                "C",
                "O"
            ],
            "chemical_system": "C-Gd-O",
            "density": 5.501792017997066,
            "density_atomic": 0.08522543285981084,
            "volume": 1267.2273566231286,
            "volume_molar": 7.066131033802962,
            "formula_full": "Gd18 C18 O72",
            "formula_reduced": "GdCO4",
            "formula_anonymous": "ABC4",
            "energy": -1047.10204998,
            "energy_per_atom": -9.695389351666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -997.63804998,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 107.4765827,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:36.918000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-709143",
            "created_at": "2022-09-04T14:40:05.413227Z",
            "structure_string": "Zr8 H88 C32 N8 O8 F40\n1.0\n9.866834 0.000000 0.000000\n0.000000 10.160485 0.000000\n0.000000 0.000000 19.319171\nZr H C N O F\n8 88 32 8 8 40\ndirect\n0.091203 0.531516 0.419573 Zr\n0.591203 0.468484 0.080427 Zr\n0.908797 0.968484 0.919573 Zr\n0.408797 0.031516 0.580427 Zr\n0.908797 0.468484 0.580427 Zr\n0.408797 0.531516 0.919573 Zr\n0.091203 0.031516 0.080427 Zr\n0.591203 0.968484 0.419573 Zr\n0.143829 0.011480 0.444452 H\n0.643829 0.988520 0.055548 H\n0.856171 0.488520 0.944452 H\n0.356171 0.511480 0.555548 H\n0.856171 0.988520 0.555548 H\n0.356171 0.011480 0.944452 H\n0.143829 0.511480 0.055548 H\n0.643829 0.488520 0.444452 H\n0.967986 0.971659 0.425159 H\n0.467986 0.028341 0.074841 H\n0.032014 0.528341 0.925159 H\n0.532014 0.471659 0.574841 H\n0.032014 0.028341 0.574841 H\n0.532014 0.971659 0.925159 H\n0.967986 0.471659 0.074841 H\n0.467986 0.528341 0.425159 H\n0.019158 0.140530 0.435005 H\n0.519158 0.859470 0.064995 H\n0.980842 0.359470 0.935005 H\n0.480842 0.640530 0.564995 H\n0.980842 0.859470 0.564995 H\n0.480842 0.140530 0.935005 H\n0.019158 0.640530 0.064995 H\n0.519158 0.359470 0.435005 H\n0.223155 0.140727 0.273752 H\n0.723155 0.859273 0.226248 H\n0.776845 0.359273 0.773752 H\n0.276845 0.640727 0.726248 H\n0.776845 0.859273 0.726248 H\n0.276845 0.140727 0.773752 H\n0.223155 0.640727 0.226248 H\n0.723155 0.359273 0.273752 H\n0.292644 0.093627 0.356375 H\n0.792644 0.906373 0.143625 H\n0.707356 0.406373 0.856375 H\n0.207356 0.593627 0.643625 H\n0.707356 0.906373 0.643625 H\n0.207356 0.093627 0.856375 H\n0.292644 0.593627 0.143625 H\n0.792644 0.406373 0.356375 H\n0.180955 0.233387 0.350538 H\n0.680955 0.766613 0.149462 H\n0.819045 0.266613 0.850538 H\n0.319045 0.733387 0.649462 H\n0.819045 0.766613 0.649462 H\n0.319045 0.233387 0.850538 H\n0.180955 0.733387 0.149462 H\n0.680955 0.266613 0.350538 H\n0.137342 0.917515 0.260087 H\n0.637342 0.082485 0.239913 H\n0.862658 0.582485 0.760087 H\n0.362658 0.417515 0.739913 H\n0.862658 0.082485 0.739913 H\n0.362658 0.917515 0.760087 H\n0.137342 0.417515 0.239913 H\n0.637342 0.582485 0.260087 H\n0.026557 0.848546 0.325215 H\n0.526557 0.151454 0.174785 H\n0.973443 0.651454 0.825215 H\n0.473443 0.348546 0.674785 H\n0.973443 0.151454 0.674785 H\n0.473443 0.848546 0.825215 H\n0.026557 0.348546 0.174785 H\n0.526557 0.651454 0.325215 H\n0.201876 0.873254 0.344906 H\n0.701876 0.126746 0.155094 H\n0.798124 0.626746 0.844906 H\n0.298124 0.373254 0.655094 H\n0.798124 0.126746 0.655094 H\n0.298124 0.873254 0.844906 H\n0.201876 0.373254 0.155094 H\n0.701876 0.626746 0.344906 H\n0.964319 0.209092 0.303478 H\n0.464319 0.790908 0.196522 H\n0.035681 0.290908 0.803478 H\n0.535681 0.709092 0.696522 H\n0.035681 0.790908 0.696522 H\n0.535681 0.209092 0.803478 H\n0.964319 0.709092 0.196522 H\n0.464319 0.290908 0.303478 H\n0.879423 0.037128 0.301357 H\n0.379423 0.962872 0.198643 H\n0.120577 0.462872 0.801357 H\n0.620577 0.537128 0.698643 H\n0.120577 0.962872 0.698643 H\n0.620577 0.037128 0.801357 H\n0.879423 0.537128 0.198643 H\n0.379423 0.462872 0.301357 H\n0.050620 0.042572 0.418022 C\n0.550620 0.957428 0.081978 C\n0.949380 0.457428 0.918022 C\n0.449380 0.542572 0.581978 C\n0.949380 0.957428 0.581978 C\n0.449380 0.042572 0.918022 C\n0.050620 0.542572 0.081978 C\n0.550620 0.457428 0.418022 C\n0.205110 0.135717 0.329637 C\n0.705110 0.864283 0.170363 C\n0.794890 0.364283 0.829637 C\n0.294890 0.635717 0.670363 C\n0.794890 0.864283 0.670363 C\n0.294890 0.135717 0.829637 C\n0.205110 0.635717 0.170363 C\n0.705110 0.364283 0.329637 C\n0.115007 0.910787 0.315763 C\n0.615007 0.089213 0.184237 C\n0.884993 0.589213 0.815763 C\n0.384993 0.410787 0.684237 C\n0.884993 0.089213 0.684237 C\n0.384993 0.910787 0.815763 C\n0.115007 0.410787 0.184237 C\n0.615007 0.589213 0.315763 C\n0.966202 0.102273 0.307547 C\n0.466202 0.897727 0.192453 C\n0.033798 0.397727 0.807547 C\n0.533798 0.602273 0.692453 C\n0.033798 0.897727 0.692453 C\n0.533798 0.102273 0.807547 C\n0.966202 0.602273 0.192453 C\n0.466202 0.397727 0.307547 C\n0.084377 0.048028 0.341208 N\n0.584377 0.951972 0.158792 N\n0.915623 0.451972 0.841208 N\n0.415623 0.548028 0.658792 N\n0.915623 0.951972 0.658792 N\n0.415623 0.048028 0.841208 N\n0.084377 0.548028 0.158792 N\n0.584377 0.451972 0.341208 N\n0.240917 0.689408 0.450144 O\n0.740917 0.310592 0.049856 O\n0.759083 0.810592 0.950144 O\n0.259083 0.189408 0.549856 O\n0.759083 0.310592 0.549856 O\n0.259083 0.689408 0.950144 O\n0.240917 0.189408 0.049856 O\n0.740917 0.810592 0.450144 O\n0.937865 0.412223 0.471328 F\n0.437865 0.587777 0.028672 F\n0.062135 0.087777 0.971328 F\n0.562135 0.912223 0.528672 F\n0.062135 0.587777 0.528672 F\n0.562135 0.412223 0.971328 F\n0.937865 0.912223 0.028672 F\n0.437865 0.087777 0.471328 F\n0.222062 0.594514 0.340697 F\n0.722062 0.405486 0.159303 F\n0.777938 0.905486 0.840697 F\n0.277938 0.094514 0.659303 F\n0.777938 0.405486 0.659303 F\n0.277938 0.594514 0.840697 F\n0.222062 0.094514 0.159303 F\n0.722062 0.905486 0.340697 F\n0.960557 0.672359 0.391716 F\n0.460557 0.327641 0.108284 F\n0.039443 0.827641 0.891716 F\n0.539443 0.172359 0.608284 F\n0.039443 0.327641 0.608284 F\n0.539443 0.672359 0.891716 F\n0.960557 0.172359 0.108284 F\n0.460557 0.827641 0.391716 F\n0.247613 0.421890 0.455357 F\n0.747613 0.578110 0.044643 F\n0.752387 0.078110 0.955357 F\n0.252387 0.921890 0.544643 F\n0.752387 0.578110 0.544643 F\n0.252387 0.421890 0.955357 F\n0.247613 0.921890 0.044643 F\n0.747613 0.078110 0.455357 F\n0.034515 0.402459 0.344242 F\n0.534515 0.597541 0.155758 F\n0.965485 0.097541 0.844242 F\n0.465485 0.902459 0.655758 F\n0.965485 0.597541 0.655758 F\n0.465485 0.402459 0.844242 F\n0.034515 0.902459 0.155758 F\n0.534515 0.097541 0.344242 F\n",
            "nsites": 184,
            "nelements": 6,
            "elements": [
                "Zr",
                "H",
                "C",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "C-F-H-N-O-Zr",
            "density": 1.8886304012548025,
            "density_atomic": 0.09500294664364399,
            "volume": 1936.7820315109163,
            "volume_molar": 6.338898921302986,
            "formula_full": "Zr8 H88 C32 N8 O8 F40",
            "formula_reduced": "ZrH11C4NOF5",
            "formula_anonymous": "ABCD4E5F11",
            "energy": -1024.44440468,
            "energy_per_atom": -5.567632634130434,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -997.58040468,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 20.6589806,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:53.595000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-686174",
            "created_at": "2022-09-04T14:43:53.679989Z",
            "structure_string": "Ti48 Ga10 S96\n1.0\n5.789961 0.000038 4.094360\n0.014770 42.478185 73.677974\n0.002570 0.000381 12.279443\nTi Ga S\n48 10 96\ndirect\n0.145453 0.000018 0.625826 Ti\n0.625739 0.038012 0.146185 Ti\n0.602675 0.000015 0.625837 Ti\n0.148322 0.081543 0.624532 Ti\n0.610560 0.120330 0.167452 Ti\n0.618878 0.040526 0.637961 Ti\n0.624114 0.081541 0.624527 Ti\n0.148460 0.168446 0.603073 Ti\n0.618916 0.209455 0.124356 Ti\n0.610536 0.129680 0.611393 Ti\n0.624047 0.168447 0.603050 Ti\n0.145683 0.249980 0.625973 Ti\n0.625299 0.288021 0.146572 Ti\n0.625709 0.212007 0.602250 Ti\n0.602612 0.249984 0.625957 Ti\n0.146889 0.331643 0.624398 Ti\n0.610822 0.370407 0.166749 Ti\n0.619049 0.290289 0.639210 Ti\n0.624586 0.331645 0.624401 Ti\n0.165303 0.416593 0.612031 Ti\n0.611739 0.453834 0.165259 Ti\n0.611401 0.379336 0.612584 Ti\n0.611527 0.416596 0.611987 Ti\n0.163913 0.500100 0.611818 Ti\n0.612502 0.537465 0.162689 Ti\n0.612034 0.462762 0.611379 Ti\n0.611265 0.500099 0.611841 Ti\n0.162380 0.583366 0.612457 Ti\n0.612645 0.620856 0.162211 Ti\n0.612540 0.545860 0.612299 Ti\n0.612327 0.583367 0.612422 Ti\n0.162994 0.666623 0.612734 Ti\n0.612391 0.704084 0.163102 Ti\n0.612404 0.629213 0.612314 Ti\n0.612085 0.666622 0.612719 Ti\n0.163820 0.749897 0.613060 Ti\n0.612512 0.712540 0.612249 Ti\n0.612115 0.787250 0.164379 Ti\n0.611304 0.749897 0.613051 Ti\n0.164522 0.833409 0.611394 Ti\n0.611646 0.870761 0.163785 Ti\n0.612014 0.796063 0.611608 Ti\n0.611778 0.833406 0.611399 Ti\n0.146750 0.918372 0.604041 Ti\n0.618999 0.959725 0.122649 Ti\n0.610973 0.879573 0.611600 Ti\n0.624707 0.918372 0.604047 Ti\n0.625362 0.961946 0.602950 Ti\n0.000857 0.083752 0.996636 Ga\n0.000847 0.166243 0.001706 Ga\n0.000064 0.334182 0.994852 Ga\n0.000863 0.417189 0.996010 Ga\n0.000115 0.499873 0.000648 Ga\n0.000052 0.583279 0.000282 Ga\n0.000053 0.666720 0.999634 Ga\n0.000125 0.750134 0.999071 Ga\n0.000855 0.832816 0.002240 Ga\n0.000061 0.915815 0.005053 Ga\n0.373815 0.000016 0.380659 S\n0.381270 0.041071 0.372294 S\n0.379219 0.082554 0.381951 S\n0.864662 0.000015 0.380669 S\n0.390124 0.999982 0.868460 S\n0.870436 0.039017 0.395491 S\n0.376608 0.122982 0.385507 S\n0.376622 0.042080 0.870904 S\n0.873220 0.999979 0.868445 S\n0.379175 0.167459 0.372534 S\n0.866246 0.082555 0.381939 S\n0.398001 0.083866 0.865043 S\n0.868319 0.044370 0.865462 S\n0.864475 0.122786 0.398806 S\n0.376557 0.127016 0.861346 S\n0.376645 0.207929 0.375800 S\n0.865499 0.083860 0.865088 S\n0.373847 0.249986 0.380885 S\n0.866250 0.167458 0.372532 S\n0.398064 0.166146 0.871385 S\n0.381204 0.291061 0.372421 S\n0.864445 0.127220 0.872222 S\n0.868233 0.205641 0.397922 S\n0.381290 0.208953 0.864967 S\n0.865406 0.166152 0.871350 S\n0.379818 0.332624 0.381538 S\n0.864534 0.249981 0.380916 S\n0.390141 0.250007 0.868235 S\n0.377043 0.372955 0.385219 S\n0.870417 0.211002 0.863596 S\n0.870817 0.289147 0.394313 S\n0.376665 0.292130 0.870542 S\n0.873338 0.250010 0.868201 S\n0.375055 0.416694 0.374940 S\n0.865628 0.332627 0.381493 S\n0.397394 0.333883 0.865099 S\n0.375323 0.458260 0.375099 S\n0.868273 0.294405 0.865320 S\n0.374416 0.374855 0.876469 S\n0.865433 0.373029 0.396402 S\n0.865814 0.333880 0.865112 S\n0.374917 0.500019 0.375383 S\n0.874773 0.416696 0.374927 S\n0.400188 0.416751 0.865965 S\n0.375290 0.541753 0.374171 S\n0.866592 0.455488 0.400465 S\n0.866175 0.378021 0.865679 S\n0.375414 0.458351 0.874470 S\n0.866861 0.416751 0.865995 S\n0.375255 0.583331 0.375372 S\n0.874151 0.500019 0.375352 S\n0.399706 0.499948 0.867069 S\n0.375436 0.624985 0.374657 S\n0.866313 0.461299 0.865882 S\n0.867006 0.538864 0.399790 S\n0.375418 0.541736 0.874147 S\n0.866792 0.499947 0.867084 S\n0.375241 0.666667 0.375464 S\n0.874078 0.583331 0.375369 S\n0.399441 0.583327 0.866859 S\n0.866923 0.544363 0.866888 S\n0.375537 0.708244 0.374993 S\n0.866889 0.622280 0.399423 S\n0.375539 0.625035 0.874255 S\n0.866917 0.583329 0.866864 S\n0.374937 0.749962 0.375677 S\n0.873858 0.666667 0.375464 S\n0.399458 0.666681 0.866651 S\n0.375318 0.708230 0.875300 S\n0.866979 0.627738 0.866578 S\n0.866891 0.705609 0.399431 S\n0.375376 0.791650 0.374721 S\n0.867076 0.666677 0.866688 S\n0.374879 0.833306 0.375216 S\n0.874216 0.749961 0.375664 S\n0.399628 0.750017 0.866679 S\n0.866926 0.711118 0.866341 S\n0.866426 0.788705 0.401327 S\n0.375192 0.791714 0.874498 S\n0.374304 0.875164 0.374728 S\n0.866813 0.750018 0.866688 S\n0.379847 0.917381 0.372966 S\n0.875053 0.833304 0.375219 S\n0.400054 0.833258 0.867026 S\n0.377044 0.877043 0.860694 S\n0.866597 0.794486 0.866478 S\n0.866161 0.872010 0.401769 S\n0.376743 0.957883 0.375960 S\n0.866798 0.833256 0.867056 S\n0.865640 0.917380 0.372973 S\n0.397305 0.916141 0.871520 S\n0.865552 0.876975 0.872589 S\n0.868231 0.955598 0.398184 S\n0.381189 0.958925 0.865240 S\n0.865947 0.916144 0.871513 S\n0.870781 0.960843 0.864181 S\n",
            "nsites": 154,
            "nelements": 3,
            "elements": [
                "Ti",
                "Ga",
                "S"
            ],
            "chemical_system": "Ga-S-Ti",
            "density": 3.339842020776565,
            "density_atomic": 0.051002106851828065,
            "volume": 3019.4831058137,
            "volume_molar": 11.80763135431953,
            "formula_full": "Ti48 Ga10 S96",
            "formula_reduced": "Ti24Ga5S48",
            "formula_anonymous": "A5B24C48",
            "energy": -1045.74726725,
            "energy_per_atom": -6.790566670454546,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -997.45926725,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.9409924,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:10.552000Z",
            "spacegroup": 31
        }
    ]
}