GET /third-parties/MatprojStructure/?format=api&ordering=-nsites&page=29
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=30",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=28",
    "results": [
        {
            "id": "mp-605642",
            "created_at": "2022-09-04T14:47:28.084906Z",
            "structure_string": "K16 B48 H32 O96\n1.0\n11.551818 0.000000 0.000000\n0.000000 11.551818 0.000000\n0.000000 0.000000 16.702980\nK B H O\n16 48 32 96\ndirect\n0.000000 0.500000 0.483669 K\n0.500000 0.000000 0.016331 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.239099 K\n0.000000 0.000000 0.250000 K\n0.500000 0.000000 0.516331 K\n0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.260901 K\n0.000000 0.000000 0.750000 K\n0.500000 0.000000 0.760901 K\n0.500000 0.500000 0.250000 K\n0.000000 0.500000 0.739099 K\n0.000000 0.500000 0.983669 K\n0.500000 0.500000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.731909 0.557103 0.613331 B\n0.231909 0.057103 0.386669 B\n0.057103 0.231909 0.113331 B\n0.766961 0.653351 0.150103 B\n0.557103 0.731909 0.886669 B\n0.138108 0.246855 0.357987 B\n0.361892 0.253145 0.642013 B\n0.653351 0.766961 0.349897 B\n0.268091 0.557103 0.113331 B\n0.746855 0.638108 0.857987 B\n0.653351 0.233039 0.849897 B\n0.057103 0.768091 0.613331 B\n0.861892 0.753145 0.357987 B\n0.346649 0.233039 0.349897 B\n0.638108 0.253145 0.142013 B\n0.861892 0.246855 0.857987 B\n0.246855 0.138108 0.142013 B\n0.346649 0.766961 0.849897 B\n0.442897 0.731909 0.386669 B\n0.638108 0.746855 0.642013 B\n0.557103 0.268091 0.386669 B\n0.766961 0.346649 0.650103 B\n0.138108 0.753145 0.857987 B\n0.266961 0.153351 0.849897 B\n0.846649 0.266961 0.150103 B\n0.361892 0.746855 0.142013 B\n0.846649 0.733039 0.650103 B\n0.746855 0.361892 0.357987 B\n0.268091 0.442897 0.613331 B\n0.266961 0.846649 0.349897 B\n0.942897 0.231909 0.613331 B\n0.442897 0.268091 0.886669 B\n0.233039 0.346649 0.150103 B\n0.253145 0.361892 0.857987 B\n0.768091 0.942897 0.386669 B\n0.153351 0.733039 0.150103 B\n0.153351 0.266961 0.650103 B\n0.753145 0.861892 0.142013 B\n0.731909 0.442897 0.113331 B\n0.753145 0.138108 0.642013 B\n0.733039 0.153351 0.349897 B\n0.733039 0.846649 0.849897 B\n0.231909 0.942897 0.886669 B\n0.942897 0.768091 0.113331 B\n0.246855 0.861892 0.642013 B\n0.233039 0.653351 0.650103 B\n0.768091 0.057103 0.886669 B\n0.253145 0.638108 0.357987 B\n0.279872 0.032819 0.640831 H\n0.220128 0.467181 0.359169 H\n0.464798 0.760544 0.991217 H\n0.964798 0.739456 0.508783 H\n0.260544 0.035202 0.991217 H\n0.532819 0.779872 0.140831 H\n0.967181 0.720128 0.859169 H\n0.260544 0.964798 0.491217 H\n0.467181 0.779872 0.640831 H\n0.760544 0.535202 0.008783 H\n0.739456 0.035202 0.491217 H\n0.239456 0.464798 0.008783 H\n0.779872 0.532819 0.359169 H\n0.535202 0.760544 0.491217 H\n0.739456 0.964798 0.991217 H\n0.532819 0.220128 0.640831 H\n0.220128 0.532819 0.859169 H\n0.239456 0.535202 0.508783 H\n0.720128 0.967181 0.640831 H\n0.032819 0.279872 0.859169 H\n0.032819 0.720128 0.359169 H\n0.464798 0.239456 0.491217 H\n0.964798 0.260544 0.008783 H\n0.279872 0.967181 0.140831 H\n0.467181 0.220128 0.140831 H\n0.035202 0.739456 0.008783 H\n0.535202 0.239456 0.991217 H\n0.967181 0.279872 0.359169 H\n0.760544 0.464798 0.508783 H\n0.720128 0.032819 0.140831 H\n0.035202 0.260544 0.508783 H\n0.779872 0.467181 0.859169 H\n0.708514 0.448724 0.655986 O\n0.800735 0.255115 0.346778 O\n0.542959 0.819239 0.643328 O\n0.208514 0.051276 0.844014 O\n0.115827 0.660419 0.640411 O\n0.448724 0.708514 0.844014 O\n0.761369 0.042142 0.974603 O\n0.042959 0.680761 0.856672 O\n0.160419 0.615827 0.140411 O\n0.660419 0.115827 0.859589 O\n0.127916 0.131178 0.371161 O\n0.319239 0.957041 0.643328 O\n0.372084 0.368822 0.628839 O\n0.042142 0.238631 0.025397 O\n0.384173 0.160419 0.859589 O\n0.948724 0.208514 0.155986 O\n0.791486 0.948724 0.844014 O\n0.238631 0.957858 0.974603 O\n0.819239 0.457041 0.356672 O\n0.042959 0.319239 0.356672 O\n0.160419 0.384173 0.640411 O\n0.115827 0.339581 0.140411 O\n0.319239 0.042959 0.143328 O\n0.948724 0.791486 0.655986 O\n0.708514 0.551276 0.155986 O\n0.744885 0.800735 0.653222 O\n0.180761 0.542959 0.356672 O\n0.884173 0.339581 0.640411 O\n0.291486 0.551276 0.655986 O\n0.744885 0.199265 0.153222 O\n0.244885 0.699265 0.846778 O\n0.042142 0.761369 0.525397 O\n0.680761 0.042959 0.643328 O\n0.199265 0.255115 0.846778 O\n0.368822 0.627916 0.371161 O\n0.957041 0.319239 0.856672 O\n0.457041 0.180761 0.643328 O\n0.131178 0.127916 0.128839 O\n0.131178 0.872084 0.628839 O\n0.680761 0.957041 0.143328 O\n0.300735 0.244885 0.153222 O\n0.180761 0.457041 0.856672 O\n0.551276 0.708514 0.344014 O\n0.755115 0.699265 0.346778 O\n0.839581 0.384173 0.140411 O\n0.615827 0.839581 0.859589 O\n0.551276 0.291486 0.844014 O\n0.957858 0.238631 0.525397 O\n0.051276 0.208514 0.655986 O\n0.542959 0.180761 0.143328 O\n0.839581 0.615827 0.640411 O\n0.238631 0.042142 0.474603 O\n0.957041 0.680761 0.356672 O\n0.627916 0.631178 0.628839 O\n0.884173 0.660419 0.140411 O\n0.738631 0.457858 0.025397 O\n0.957858 0.761369 0.025397 O\n0.738631 0.542142 0.525397 O\n0.699265 0.244885 0.653222 O\n0.699265 0.755115 0.153222 O\n0.339581 0.115827 0.359589 O\n0.457858 0.261369 0.974603 O\n0.627916 0.368822 0.128839 O\n0.755115 0.300735 0.846778 O\n0.868822 0.872084 0.128839 O\n0.300735 0.755115 0.653222 O\n0.660419 0.884173 0.359589 O\n0.448724 0.291486 0.344014 O\n0.291486 0.448724 0.155986 O\n0.761369 0.957858 0.474603 O\n0.791486 0.051276 0.344014 O\n0.819239 0.542959 0.856672 O\n0.872084 0.131178 0.871161 O\n0.199265 0.744885 0.346778 O\n0.457041 0.819239 0.143328 O\n0.615827 0.160419 0.359589 O\n0.868822 0.127916 0.628839 O\n0.372084 0.631178 0.128839 O\n0.457858 0.738631 0.474603 O\n0.261369 0.457858 0.525397 O\n0.244885 0.300735 0.346778 O\n0.255115 0.199265 0.653222 O\n0.339581 0.884173 0.859589 O\n0.255115 0.800735 0.153222 O\n0.368822 0.372084 0.871161 O\n0.127916 0.868822 0.871161 O\n0.384173 0.839581 0.359589 O\n0.051276 0.791486 0.155986 O\n0.208514 0.948724 0.344014 O\n0.261369 0.542142 0.025397 O\n0.542142 0.738631 0.974603 O\n0.872084 0.868822 0.371161 O\n0.800735 0.744885 0.846778 O\n0.631178 0.627916 0.871161 O\n0.542142 0.261369 0.474603 O\n0.631178 0.372084 0.371161 O\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "K",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-H-K-O",
            "density": 2.0209510405128848,
            "density_atomic": 0.08614034201172044,
            "volume": 2228.9207996629043,
            "volume_molar": 6.991080624198839,
            "formula_full": "K16 B48 H32 O96",
            "formula_reduced": "KB3(HO3)2",
            "formula_anonymous": "AB2C3D6",
            "energy": -1385.32100203,
            "energy_per_atom": -7.215213552239583,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1319.36900203,
            "band_gap": 4.8267,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0072286,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:09.056000Z",
            "spacegroup": 130
        },
        {
            "id": "mp-600191",
            "created_at": "2022-09-04T14:39:15.245921Z",
            "structure_string": "B40 H120 C24 N8\n1.0\n16.968143 0.000000 0.000000\n0.000000 8.567710 0.000000\n0.000000 2.270352 12.012097\nB H C N\n40 120 24 8\ndirect\n0.168675 0.153960 0.642100 B\n0.807864 0.867725 0.209328 B\n0.435977 0.128823 0.176220 B\n0.365712 0.000832 0.239400 B\n0.865712 0.999168 0.260600 B\n0.193680 0.325213 0.701833 B\n0.863506 0.707006 0.169771 B\n0.806320 0.674787 0.298167 B\n0.935977 0.871177 0.323780 B\n0.363506 0.292994 0.330229 B\n0.954817 0.709511 0.250527 B\n0.613429 0.562097 0.780269 B\n0.603038 0.677067 0.879573 B\n0.331325 0.153960 0.142100 B\n0.454817 0.290489 0.249473 B\n0.587630 0.891929 0.675165 B\n0.668675 0.846040 0.857900 B\n0.634288 0.999168 0.760600 B\n0.912370 0.891929 0.175165 B\n0.064023 0.128823 0.676220 B\n0.386571 0.437903 0.219731 B\n0.396962 0.322933 0.120427 B\n0.831325 0.846040 0.357900 B\n0.896962 0.677067 0.379573 B\n0.545183 0.709511 0.750527 B\n0.693680 0.674787 0.798167 B\n0.636494 0.707006 0.669771 B\n0.886571 0.562097 0.280269 B\n0.045183 0.290489 0.749473 B\n0.306320 0.325213 0.201833 B\n0.103038 0.322933 0.620427 B\n0.412370 0.108071 0.324835 B\n0.307864 0.132275 0.290672 B\n0.192136 0.132275 0.790672 B\n0.113429 0.437903 0.719731 B\n0.692136 0.867725 0.709328 B\n0.087630 0.108071 0.824835 B\n0.136494 0.292994 0.830229 B\n0.564023 0.871177 0.823780 B\n0.134288 0.000832 0.739400 B\n0.838862 0.846210 0.855113 H\n0.727900 0.488342 0.569215 H\n0.415467 0.046848 0.588559 H\n0.002833 0.271178 0.036053 H\n0.892083 0.421220 0.284521 H\n0.875996 0.681019 0.715130 H\n0.885247 0.014498 0.769220 H\n0.077415 0.152242 0.370175 H\n0.850374 0.676752 0.079190 H\n0.114753 0.985502 0.230780 H\n0.526088 0.392451 0.636141 H\n0.926899 0.601298 0.916543 H\n0.242107 0.691100 0.338029 H\n0.350374 0.323248 0.420810 H\n0.478089 0.678249 0.729492 H\n0.915467 0.953152 0.911441 H\n0.679950 0.345245 0.437178 H\n0.757893 0.308900 0.661971 H\n0.227900 0.511658 0.930785 H\n0.412297 0.719126 0.947429 H\n0.994673 0.120675 0.220563 H\n0.315998 0.579033 0.068230 H\n0.706358 0.155411 0.519052 H\n0.624004 0.681019 0.215130 H\n0.172282 0.535200 0.384697 H\n0.338862 0.153790 0.644887 H\n0.494673 0.879325 0.279437 H\n0.250987 0.088753 0.842314 H\n0.661138 0.846210 0.355113 H\n0.489272 0.078615 0.127182 H\n0.827718 0.464800 0.615303 H\n0.140481 0.859672 0.745582 H\n0.149626 0.323248 0.920810 H\n0.184002 0.579033 0.568230 H\n0.880187 0.168283 0.449533 H\n0.742387 0.210513 0.379033 H\n0.422585 0.152242 0.870175 H\n0.619813 0.168283 0.949533 H\n0.742107 0.308900 0.161971 H\n0.502833 0.728822 0.463947 H\n0.087381 0.379329 0.525314 H\n0.084533 0.046848 0.088559 H\n0.054004 0.041042 0.907338 H\n0.614753 0.014498 0.269220 H\n0.521911 0.321751 0.270508 H\n0.793581 0.872258 0.435728 H\n0.293581 0.127742 0.064272 H\n0.242895 0.387659 0.179282 H\n0.242387 0.789487 0.120967 H\n0.742895 0.612341 0.320718 H\n0.912297 0.280874 0.552571 H\n0.793642 0.155411 0.019052 H\n0.640481 0.140328 0.754418 H\n0.989272 0.921385 0.372818 H\n0.510728 0.921385 0.872818 H\n0.022032 0.330583 0.323229 H\n0.343539 0.879682 0.910290 H\n0.843539 0.120318 0.589710 H\n0.412619 0.379329 0.025314 H\n0.156461 0.879682 0.410290 H\n0.656461 0.120318 0.089710 H\n0.445996 0.041042 0.407338 H\n0.750987 0.911247 0.657686 H\n0.945996 0.958958 0.092662 H\n0.257613 0.789487 0.620967 H\n0.107917 0.578780 0.715479 H\n0.206419 0.127742 0.564272 H\n0.179950 0.654755 0.062822 H\n0.706419 0.872258 0.935728 H\n0.010728 0.078615 0.627182 H\n0.522032 0.669417 0.176771 H\n0.021911 0.678249 0.229492 H\n0.587381 0.620671 0.974686 H\n0.375996 0.318981 0.784870 H\n0.577415 0.847758 0.129825 H\n0.587703 0.280874 0.052571 H\n0.385247 0.985502 0.730780 H\n0.978089 0.321751 0.770508 H\n0.973912 0.392451 0.136141 H\n0.257893 0.691100 0.838029 H\n0.505327 0.120675 0.720563 H\n0.607917 0.421220 0.784521 H\n0.161138 0.153790 0.144887 H\n0.380187 0.831717 0.050467 H\n0.757613 0.210513 0.879033 H\n0.272100 0.511658 0.430785 H\n0.815998 0.420967 0.431770 H\n0.554004 0.958958 0.592662 H\n0.426899 0.398702 0.583457 H\n0.820050 0.345245 0.937178 H\n0.249013 0.088753 0.342314 H\n0.772100 0.488342 0.069215 H\n0.977968 0.669417 0.676771 H\n0.672282 0.464800 0.115303 H\n0.293642 0.844589 0.480948 H\n0.257105 0.387659 0.679282 H\n0.584533 0.953152 0.411441 H\n0.206358 0.844589 0.980948 H\n0.573101 0.601298 0.416543 H\n0.757105 0.612341 0.820718 H\n0.124004 0.318981 0.284870 H\n0.922585 0.847758 0.629825 H\n0.327718 0.535200 0.884697 H\n0.649626 0.676752 0.579190 H\n0.684002 0.420967 0.931770 H\n0.026088 0.607549 0.863859 H\n0.359519 0.859672 0.245582 H\n0.473912 0.607549 0.363859 H\n0.749013 0.911247 0.157686 H\n0.497167 0.271178 0.536053 H\n0.320050 0.654755 0.562822 H\n0.073101 0.398702 0.083457 H\n0.997167 0.728822 0.963947 H\n0.392083 0.578780 0.215479 H\n0.859519 0.140328 0.254418 H\n0.477968 0.330583 0.823229 H\n0.087703 0.719126 0.447429 H\n0.005327 0.879325 0.779437 H\n0.912619 0.620671 0.474686 H\n0.119813 0.831717 0.550467 H\n0.725921 0.254241 0.454335 C\n0.606142 0.912741 0.336886 C\n0.478525 0.323512 0.607167 C\n0.393858 0.087259 0.663114 C\n0.363405 0.783714 0.976884 C\n0.724355 0.402841 0.092736 C\n0.568725 0.746835 0.198149 C\n0.863405 0.216286 0.523116 C\n0.275645 0.597159 0.907264 C\n0.431275 0.253165 0.801851 C\n0.068725 0.253165 0.301851 C\n0.021475 0.323512 0.107167 C\n0.224355 0.597159 0.407264 C\n0.978525 0.676488 0.892833 C\n0.774079 0.254241 0.954335 C\n0.931275 0.746835 0.698149 C\n0.775645 0.402841 0.592736 C\n0.893858 0.912741 0.836886 C\n0.274079 0.745759 0.545665 C\n0.636595 0.216286 0.023116 C\n0.225921 0.745759 0.045665 C\n0.521475 0.676488 0.392833 C\n0.106142 0.087259 0.163114 C\n0.136595 0.783714 0.476884 C\n0.455681 0.191562 0.699827 N\n0.044319 0.191562 0.199827 N\n0.296494 0.670372 0.004756 N\n0.703506 0.329628 0.995244 N\n0.203506 0.670372 0.504756 N\n0.955681 0.808438 0.800173 N\n0.796494 0.329628 0.495244 N\n0.544319 0.808438 0.300173 N\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "B",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "B-C-H-N",
            "density": 0.9068687425307241,
            "density_atomic": 0.10994698500417036,
            "volume": 1746.2961807703714,
            "volume_molar": 5.477313233984157,
            "formula_full": "B40 H120 C24 N8",
            "formula_reduced": "B5H15C3N",
            "formula_anonymous": "AB3C5D15",
            "energy": -993.64719224,
            "energy_per_atom": -5.175245792916667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -990.75919224,
            "band_gap": 4.0901,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.019143,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:42.444000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1196358",
            "created_at": "2022-09-04T14:39:27.564721Z",
            "structure_string": "P4 H120 Pt8 C40 I8 N4 Cl8\n1.0\n0.000000 -9.379853 0.000000\n-10.703903 0.000000 0.175461\n0.153260 0.000000 -25.575644\nP H Pt C I N Cl\n4 120 8 40 8 4 8\ndirect\n0.506891 0.657400 0.131295 P\n0.006891 0.342600 0.368705 P\n0.493109 0.342600 0.868705 P\n0.993109 0.657400 0.631295 P\n0.370677 0.576343 0.190938 H\n0.870677 0.423657 0.309062 H\n0.629323 0.423657 0.809062 H\n0.129323 0.576343 0.690938 H\n0.274315 0.998943 0.197363 H\n0.774315 0.001057 0.302637 H\n0.725685 0.001057 0.802637 H\n0.225685 0.998943 0.697363 H\n0.368368 0.918620 0.146101 H\n0.868368 0.081380 0.353899 H\n0.631632 0.081380 0.853899 H\n0.131632 0.918620 0.646101 H\n0.192075 0.975202 0.134735 H\n0.692075 0.024798 0.365265 H\n0.807925 0.024798 0.865265 H\n0.307925 0.975202 0.634735 H\n0.326004 0.881221 0.263072 H\n0.826004 0.118779 0.236928 H\n0.673996 0.118779 0.736928 H\n0.173996 0.881221 0.763072 H\n0.184435 0.791398 0.290171 H\n0.684434 0.208602 0.209829 H\n0.815566 0.208602 0.709829 H\n0.315565 0.791398 0.790171 H\n0.342013 0.713948 0.266909 H\n0.842013 0.286052 0.233091 H\n0.657987 0.286052 0.733091 H\n0.157987 0.713948 0.766909 H\n0.956692 0.823655 0.245499 H\n0.456692 0.176345 0.254501 H\n0.043308 0.176345 0.754501 H\n0.543308 0.823655 0.745499 H\n0.053804 0.963535 0.232382 H\n0.553804 0.036465 0.267618 H\n0.946196 0.036465 0.767618 H\n0.446196 0.963535 0.732382 H\n0.941842 0.894967 0.182790 H\n0.441842 0.105033 0.317210 H\n0.058158 0.105033 0.817210 H\n0.558158 0.894967 0.682790 H\n0.232694 0.348186 0.032895 H\n0.732694 0.651814 0.467105 H\n0.767306 0.651814 0.967105 H\n0.267306 0.348186 0.532895 H\n0.235939 0.511512 0.020021 H\n0.735939 0.488488 0.479979 H\n0.764061 0.488488 0.979979 H\n0.264061 0.511512 0.520021 H\n0.385763 0.438185 0.050880 H\n0.885763 0.561815 0.449120 H\n0.614237 0.561815 0.949120 H\n0.114237 0.438185 0.550880 H\n0.056539 0.274300 0.082884 H\n0.556539 0.725700 0.417116 H\n0.943461 0.725700 0.917116 H\n0.443461 0.274300 0.582884 H\n0.941288 0.355735 0.127869 H\n0.441288 0.644265 0.372131 H\n0.058712 0.644265 0.872131 H\n0.558712 0.355735 0.627869 H\n0.962817 0.410303 0.062238 H\n0.462817 0.589697 0.437762 H\n0.037183 0.589697 0.937762 H\n0.537183 0.410303 0.562238 H\n0.281692 0.247921 0.119361 H\n0.781692 0.752079 0.380638 H\n0.718308 0.752079 0.880638 H\n0.218308 0.247921 0.619362 H\n0.382686 0.349034 0.162501 H\n0.882686 0.650966 0.337499 H\n0.617314 0.650966 0.837499 H\n0.117314 0.349034 0.662501 H\n0.212464 0.290989 0.182418 H\n0.712464 0.709011 0.317582 H\n0.787536 0.709011 0.817582 H\n0.287536 0.290989 0.682418 H\n0.622800 0.710482 0.211830 H\n0.122800 0.289518 0.288170 H\n0.377200 0.289518 0.788170 H\n0.877200 0.710482 0.711830 H\n0.720405 0.764834 0.156923 H\n0.220405 0.235166 0.343077 H\n0.279595 0.235166 0.843077 H\n0.779595 0.764834 0.656923 H\n0.564544 0.848431 0.179115 H\n0.064544 0.151569 0.320885 H\n0.435456 0.151569 0.820885 H\n0.935456 0.848431 0.679115 H\n0.396495 0.692119 0.048623 H\n0.896495 0.307881 0.451377 H\n0.603505 0.307881 0.951377 H\n0.103505 0.692119 0.548623 H\n0.459149 0.834930 0.077621 H\n0.959149 0.165070 0.422379 H\n0.540851 0.165070 0.922379 H\n0.040851 0.834930 0.577621 H\n0.582907 0.730217 0.047276 H\n0.082907 0.269784 0.452724 H\n0.417093 0.269784 0.952724 H\n0.917093 0.730217 0.547276 H\n0.633060 0.474396 0.156447 H\n0.133060 0.525604 0.343553 H\n0.366940 0.525604 0.843553 H\n0.866940 0.474396 0.656447 H\n0.576757 0.461196 0.089407 H\n0.076757 0.538804 0.410593 H\n0.423243 0.538804 0.910593 H\n0.923243 0.461196 0.589407 H\n0.726367 0.557814 0.107348 H\n0.226367 0.442186 0.392652 H\n0.273633 0.442186 0.892652 H\n0.773633 0.557814 0.607348 H\n0.851524 0.146951 0.028083 H\n0.351524 0.853049 0.471917 H\n0.148476 0.853049 0.971917 H\n0.648476 0.146951 0.528083 H\n0.875760 0.017902 0.071951 H\n0.375760 0.982098 0.428049 H\n0.124240 0.982098 0.928049 H\n0.624240 0.017902 0.571951 H\n0.178524 0.766218 0.187090 Pt\n0.678524 0.233782 0.312910 Pt\n0.821476 0.233782 0.812910 Pt\n0.321476 0.766218 0.687090 Pt\n0.180096 0.481465 0.120014 Pt\n0.680096 0.518535 0.379986 Pt\n0.819904 0.518535 0.879986 Pt\n0.319904 0.481465 0.620014 Pt\n0.263261 0.934046 0.163704 C\n0.763261 0.065954 0.336296 C\n0.736739 0.065954 0.836296 C\n0.236739 0.934046 0.663704 C\n0.268533 0.791972 0.260296 C\n0.768533 0.208028 0.239704 C\n0.731467 0.208028 0.739704 C\n0.231467 0.791972 0.760296 C\n0.013853 0.875101 0.215354 C\n0.513853 0.124899 0.284646 C\n0.986147 0.124899 0.784646 C\n0.486147 0.875101 0.715354 C\n0.269212 0.440003 0.047615 C\n0.769212 0.559997 0.452385 C\n0.730788 0.559997 0.952385 C\n0.230788 0.440003 0.547615 C\n0.016213 0.366683 0.095382 C\n0.516213 0.633317 0.404618 C\n0.983787 0.633317 0.904618 C\n0.483787 0.366683 0.595382 C\n0.275265 0.323348 0.149135 C\n0.775265 0.676652 0.350865 C\n0.724735 0.676652 0.850865 C\n0.224735 0.323348 0.649135 C\n0.613292 0.756043 0.173965 C\n0.113292 0.243957 0.326035 C\n0.386708 0.243957 0.826035 C\n0.886708 0.756043 0.673965 C\n0.484499 0.736074 0.070384 C\n0.984499 0.263926 0.429616 C\n0.515501 0.263926 0.929616 C\n0.015501 0.736074 0.570384 C\n0.621015 0.524058 0.119579 C\n0.121015 0.475942 0.380421 C\n0.378985 0.475942 0.880421 C\n0.878985 0.524058 0.619579 C\n0.803506 0.063785 0.044874 C\n0.303506 0.936215 0.455126 C\n0.196494 0.936215 0.955126 C\n0.696494 0.063785 0.544874 C\n0.055892 0.709967 0.086848 I\n0.555892 0.290033 0.413152 I\n0.944108 0.290033 0.913152 I\n0.444108 0.709967 0.586848 I\n0.054152 0.538788 0.218773 I\n0.554152 0.461212 0.281227 I\n0.945848 0.461212 0.781227 I\n0.445848 0.538788 0.718773 I\n0.350546 0.621256 0.156373 N\n0.850546 0.378744 0.343627 N\n0.649454 0.378744 0.843627 N\n0.149454 0.621256 0.656373 N\n0.648365 0.110428 0.080235 Cl\n0.148365 0.889572 0.419765 Cl\n0.351635 0.889572 0.919765 Cl\n0.851635 0.110428 0.580235 Cl\n0.764772 0.956782 0.992762 Cl\n0.264772 0.043218 0.507238 Cl\n0.235228 0.043218 0.007238 Cl\n0.735228 0.956782 0.492762 Cl\n",
            "nsites": 192,
            "nelements": 7,
            "elements": [
                "P",
                "H",
                "Pt",
                "C",
                "I",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-H-I-N-P-Pt",
            "density": 2.3546584026874933,
            "density_atomic": 0.07477890751518702,
            "volume": 2567.56893594636,
            "volume_molar": 8.053261220454377,
            "formula_full": "P4 H120 Pt8 C40 I8 N4 Cl8",
            "formula_reduced": "PH30Pt2C10I2NCl2",
            "formula_anonymous": "ABC2D2E2F10G30",
            "energy": -945.1811690000002,
            "energy_per_atom": -4.922818588541667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -935.793169,
            "band_gap": 3.1727,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0025631,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:35.063000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-653248",
            "created_at": "2022-09-04T14:48:01.027812Z",
            "structure_string": "Cr24 B56 Cl8 O104\n1.0\n12.298749 0.000000 0.000000\n0.000000 12.298749 0.000000\n0.000000 0.000000 12.319934\nCr B Cl O\n24 56 8 104\ndirect\n0.756560 0.997708 0.255586 Cr\n0.500000 0.000000 0.974483 Cr\n0.243827 0.004405 0.756546 Cr\n0.997708 0.243440 0.744414 Cr\n0.256560 0.502292 0.244414 Cr\n0.502292 0.743440 0.755586 Cr\n0.497708 0.256560 0.755586 Cr\n0.000000 0.500000 0.525517 Cr\n0.756173 0.995595 0.756546 Cr\n0.000000 0.000000 0.500000 Cr\n0.743827 0.495595 0.743454 Cr\n0.002292 0.756560 0.744414 Cr\n0.004405 0.756173 0.243454 Cr\n0.495595 0.256173 0.256546 Cr\n0.743440 0.497708 0.244414 Cr\n0.256173 0.504405 0.743454 Cr\n0.995595 0.243827 0.243454 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.243440 0.002292 0.255586 Cr\n0.000000 0.500000 0.025517 Cr\n0.500000 0.000000 0.474483 Cr\n0.504405 0.743827 0.256546 Cr\n0.500000 0.500000 0.000000 Cr\n0.747964 0.248301 0.248706 B\n0.651528 0.150721 0.597774 B\n0.171561 0.824682 0.921040 B\n0.752036 0.748301 0.251294 B\n0.173956 0.672602 0.073164 B\n0.174678 0.171688 0.578985 B\n0.748301 0.247964 0.748706 B\n0.999502 0.748006 0.999398 B\n0.175318 0.171561 0.078960 B\n0.826044 0.327398 0.073164 B\n0.252036 0.751699 0.248706 B\n0.151528 0.349279 0.902226 B\n0.348472 0.849279 0.597774 B\n0.675318 0.328439 0.421040 B\n0.247964 0.251699 0.251294 B\n0.499281 0.748248 0.003960 B\n0.251752 0.499281 0.996040 B\n0.248301 0.252036 0.751294 B\n0.324682 0.671561 0.421040 B\n0.328312 0.325322 0.078985 B\n0.827398 0.326044 0.573164 B\n0.849279 0.651528 0.402226 B\n0.748006 0.000498 0.000602 B\n0.000719 0.248248 0.496040 B\n0.150721 0.348472 0.402226 B\n0.671561 0.675318 0.578960 B\n0.326044 0.172602 0.426836 B\n0.251994 0.999502 0.000602 B\n0.848472 0.650721 0.902226 B\n0.000498 0.251994 0.999398 B\n0.748248 0.500719 0.996040 B\n0.251699 0.752036 0.748706 B\n0.751994 0.500498 0.499398 B\n0.828312 0.174678 0.421015 B\n0.751699 0.747964 0.751294 B\n0.674678 0.328312 0.921015 B\n0.671688 0.674678 0.078985 B\n0.500498 0.248006 0.500602 B\n0.828439 0.175318 0.921040 B\n0.172602 0.673956 0.573164 B\n0.999281 0.751752 0.496040 B\n0.673956 0.827398 0.426836 B\n0.248006 0.499502 0.499398 B\n0.499502 0.751994 0.500602 B\n0.672602 0.826044 0.926836 B\n0.327398 0.173956 0.926836 B\n0.500719 0.251752 0.003960 B\n0.650721 0.151528 0.097774 B\n0.824682 0.828439 0.078960 B\n0.248248 0.999281 0.503960 B\n0.171688 0.825322 0.421015 B\n0.325322 0.671688 0.921015 B\n0.825322 0.828312 0.578985 B\n0.751752 0.000719 0.503960 B\n0.328439 0.324682 0.578960 B\n0.349279 0.848472 0.097774 B\n0.000000 0.500000 0.743758 Cl\n0.000000 0.500000 0.243758 Cl\n0.500000 0.000000 0.756242 Cl\n0.000000 0.000000 0.752105 Cl\n0.500000 0.500000 0.252105 Cl\n0.500000 0.500000 0.747895 Cl\n0.500000 0.000000 0.256242 Cl\n0.000000 0.000000 0.247895 Cl\n0.773345 0.933194 0.600072 O\n0.846950 0.432344 0.523375 O\n0.926778 0.768969 0.091647 O\n0.226655 0.066806 0.600072 O\n0.650978 0.067098 0.523166 O\n0.845553 0.226567 0.814790 O\n0.273345 0.566806 0.899928 O\n0.426778 0.731031 0.408353 O\n0.150978 0.432902 0.976834 O\n0.741381 0.758526 0.010181 O\n0.932902 0.650978 0.476834 O\n0.269621 0.345443 0.179820 O\n0.431016 0.343187 0.521732 O\n0.731031 0.573222 0.591647 O\n0.758619 0.258526 0.489819 O\n0.732007 0.929650 0.409212 O\n0.153050 0.567656 0.523375 O\n0.345553 0.273433 0.685210 O\n0.845443 0.769621 0.679820 O\n0.073660 0.155789 0.517875 O\n0.230379 0.845443 0.320180 O\n0.660160 0.766679 0.325285 O\n0.839840 0.266679 0.174715 O\n0.267993 0.070350 0.409212 O\n0.654447 0.726567 0.685210 O\n0.741474 0.758619 0.510181 O\n0.843187 0.931016 0.021732 O\n0.773433 0.845553 0.185210 O\n0.767993 0.429650 0.090788 O\n0.647501 0.224798 0.183564 O\n0.345443 0.730379 0.820180 O\n0.655789 0.573660 0.017875 O\n0.656813 0.431016 0.478268 O\n0.231031 0.926778 0.908353 O\n0.432344 0.153050 0.476625 O\n0.241474 0.741381 0.989819 O\n0.224798 0.352499 0.816436 O\n0.758526 0.258619 0.989819 O\n0.654557 0.269621 0.820180 O\n0.566328 0.225146 0.600961 O\n0.155789 0.926340 0.482125 O\n0.768969 0.073222 0.908353 O\n0.346950 0.067656 0.976625 O\n0.258619 0.241474 0.010181 O\n0.926340 0.844211 0.517875 O\n0.849022 0.567098 0.976834 O\n0.933194 0.226655 0.399928 O\n0.160160 0.733321 0.174715 O\n0.067098 0.349022 0.476834 O\n0.433194 0.273345 0.100072 O\n0.343187 0.568984 0.478268 O\n0.233321 0.660160 0.674715 O\n0.932344 0.346950 0.023375 O\n0.733321 0.839840 0.825285 O\n0.573660 0.344211 0.982125 O\n0.568984 0.656813 0.521732 O\n0.067656 0.653050 0.023375 O\n0.352499 0.775202 0.183564 O\n0.725146 0.066328 0.100961 O\n0.147501 0.275202 0.316436 O\n0.766679 0.339840 0.674715 O\n0.730379 0.654557 0.179820 O\n0.274854 0.933672 0.100961 O\n0.929650 0.267993 0.590788 O\n0.241381 0.741474 0.489819 O\n0.154447 0.773433 0.814790 O\n0.566806 0.726655 0.100072 O\n0.226567 0.154447 0.185210 O\n0.344211 0.426340 0.017875 O\n0.852499 0.724798 0.316436 O\n0.273433 0.654447 0.314790 O\n0.653050 0.932344 0.976625 O\n0.232007 0.570350 0.090788 O\n0.275202 0.852499 0.683564 O\n0.724798 0.147501 0.683564 O\n0.070350 0.732007 0.590788 O\n0.573222 0.268969 0.408353 O\n0.433672 0.774854 0.600961 O\n0.156813 0.068984 0.021732 O\n0.266679 0.160160 0.825285 O\n0.933672 0.725146 0.899039 O\n0.432902 0.849022 0.023166 O\n0.339840 0.233321 0.325285 O\n0.154557 0.230379 0.679820 O\n0.567098 0.150978 0.023166 O\n0.066328 0.274854 0.899039 O\n0.775202 0.647501 0.816436 O\n0.066806 0.773345 0.399928 O\n0.570350 0.767993 0.909212 O\n0.225146 0.433672 0.399039 O\n0.567656 0.846950 0.476625 O\n0.258526 0.241381 0.510181 O\n0.726567 0.345553 0.314790 O\n0.931016 0.156813 0.978268 O\n0.426340 0.655789 0.982125 O\n0.268969 0.426778 0.591647 O\n0.726655 0.433194 0.899928 O\n0.349022 0.932902 0.523166 O\n0.769621 0.154557 0.320180 O\n0.844211 0.073660 0.482125 O\n0.774854 0.566328 0.399039 O\n0.068984 0.843187 0.978268 O\n0.073222 0.231031 0.091647 O\n0.429650 0.232007 0.909212 O\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "Cr",
                "B",
                "Cl",
                "O"
            ],
            "chemical_system": "B-Cl-Cr-O",
            "density": 3.3869084311370603,
            "density_atomic": 0.10303172497641733,
            "volume": 1863.503693099833,
            "volume_molar": 5.844938305534914,
            "formula_full": "Cr24 B56 Cl8 O104",
            "formula_reduced": "Cr3B7ClO13",
            "formula_anonymous": "AB3C7D13",
            "energy": -1640.53957653,
            "energy_per_atom": -8.54447696109375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1516.20357653,
            "band_gap": 2.7718,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 96.0012391,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.653000Z",
            "spacegroup": 114
        },
        {
            "id": "mp-24046",
            "created_at": "2022-09-04T14:41:54.820577Z",
            "structure_string": "Na4 Al4 H96 S8 O80\n1.0\n12.279660 0.000000 0.000000\n0.000000 12.279660 0.000000\n0.000000 0.000000 12.279660\nNa Al H S O\n4 4 96 8 80\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.090429 0.343041 0.388221 H\n0.590429 0.156959 0.611779 H\n0.909571 0.843041 0.111779 H\n0.156959 0.611779 0.590429 H\n0.111779 0.909571 0.843041 H\n0.611779 0.590429 0.156959 H\n0.343041 0.388221 0.090429 H\n0.388221 0.090429 0.343041 H\n0.843041 0.111779 0.909571 H\n0.656959 0.888221 0.409571 H\n0.888221 0.409571 0.656959 H\n0.409571 0.656959 0.888221 H\n0.909571 0.656959 0.611779 H\n0.409571 0.843041 0.388221 H\n0.090429 0.156959 0.888221 H\n0.843041 0.388221 0.409571 H\n0.888221 0.090429 0.156959 H\n0.388221 0.409571 0.843041 H\n0.656959 0.611779 0.909571 H\n0.611779 0.909571 0.656959 H\n0.156959 0.888221 0.090429 H\n0.343041 0.111779 0.590429 H\n0.111779 0.590429 0.343041 H\n0.590429 0.343041 0.111779 H\n0.051364 0.207118 0.006994 H\n0.551364 0.292882 0.993006 H\n0.948636 0.707118 0.493006 H\n0.292882 0.993006 0.551364 H\n0.493006 0.948636 0.707118 H\n0.993006 0.551364 0.292882 H\n0.207118 0.006994 0.051364 H\n0.006994 0.051364 0.207118 H\n0.707118 0.493006 0.948636 H\n0.792882 0.506994 0.448636 H\n0.506994 0.448636 0.792882 H\n0.448636 0.792882 0.506994 H\n0.948636 0.792882 0.993006 H\n0.448636 0.707118 0.006994 H\n0.051364 0.292882 0.506994 H\n0.707118 0.006994 0.448636 H\n0.506994 0.051364 0.292882 H\n0.006994 0.448636 0.707118 H\n0.792882 0.993006 0.948636 H\n0.993006 0.948636 0.792882 H\n0.292882 0.506994 0.051364 H\n0.207118 0.493006 0.551364 H\n0.493006 0.551364 0.207118 H\n0.588355 0.313885 0.357497 H\n0.965124 0.308257 0.112932 H\n0.465124 0.191743 0.887068 H\n0.034876 0.808257 0.387068 H\n0.191743 0.887068 0.465124 H\n0.387068 0.034876 0.808257 H\n0.887068 0.465124 0.191743 H\n0.308257 0.112932 0.965124 H\n0.112932 0.965124 0.308257 H\n0.808257 0.387068 0.034876 H\n0.691743 0.612932 0.534876 H\n0.612932 0.534876 0.691743 H\n0.534876 0.691743 0.612932 H\n0.034876 0.691743 0.887068 H\n0.534876 0.808257 0.112932 H\n0.965124 0.191743 0.612932 H\n0.808257 0.112932 0.534876 H\n0.612932 0.965124 0.191743 H\n0.112932 0.534876 0.808257 H\n0.691743 0.887068 0.034876 H\n0.887068 0.034876 0.691743 H\n0.191743 0.612932 0.965124 H\n0.308257 0.387068 0.465124 H\n0.387068 0.465124 0.308257 H\n0.465124 0.308257 0.387068 H\n0.088355 0.313885 0.142503 H\n0.588355 0.186115 0.857497 H\n0.911645 0.813885 0.357497 H\n0.186115 0.857497 0.588355 H\n0.357497 0.911645 0.813885 H\n0.857497 0.588355 0.186115 H\n0.313885 0.142503 0.088355 H\n0.142503 0.088355 0.313885 H\n0.813885 0.357497 0.911645 H\n0.686115 0.642503 0.411645 H\n0.642503 0.411645 0.686115 H\n0.411645 0.686115 0.642503 H\n0.911645 0.686115 0.857497 H\n0.411645 0.813885 0.142503 H\n0.088355 0.186115 0.642503 H\n0.813885 0.142503 0.411645 H\n0.642503 0.088355 0.186115 H\n0.142503 0.411645 0.813885 H\n0.686115 0.857497 0.911645 H\n0.857497 0.911645 0.686115 H\n0.186115 0.642503 0.088355 H\n0.313885 0.357497 0.588355 H\n0.357497 0.588355 0.313885 H\n0.551364 0.207118 0.493006 H\n0.265789 0.265789 0.265789 S\n0.234211 0.734211 0.765789 S\n0.765789 0.234211 0.734211 S\n0.734211 0.765789 0.234211 S\n0.734211 0.734211 0.734211 S\n0.765789 0.265789 0.234211 S\n0.234211 0.765789 0.265789 S\n0.265789 0.234211 0.765789 S\n0.638895 0.960129 0.443076 O\n0.138895 0.539871 0.556924 O\n0.361105 0.460129 0.056924 O\n0.539871 0.556924 0.138895 O\n0.056924 0.361105 0.460129 O\n0.556924 0.138895 0.539871 O\n0.960129 0.443076 0.638895 O\n0.443076 0.638895 0.960129 O\n0.460129 0.056924 0.361105 O\n0.039871 0.943076 0.861105 O\n0.943076 0.861105 0.039871 O\n0.861105 0.039871 0.943076 O\n0.361105 0.039871 0.556924 O\n0.861105 0.460129 0.443076 O\n0.638895 0.539871 0.943076 O\n0.460129 0.443076 0.861105 O\n0.943076 0.638895 0.539871 O\n0.443076 0.861105 0.460129 O\n0.039871 0.556924 0.361105 O\n0.556924 0.361105 0.039871 O\n0.539871 0.943076 0.638895 O\n0.960129 0.056924 0.138895 O\n0.056924 0.138895 0.960129 O\n0.138895 0.960129 0.056924 O\n0.578771 0.038129 0.184744 O\n0.078771 0.461871 0.815256 O\n0.421229 0.538129 0.315256 O\n0.461871 0.815256 0.078771 O\n0.315256 0.421229 0.538129 O\n0.815256 0.078771 0.461871 O\n0.038129 0.184744 0.578771 O\n0.184744 0.578771 0.038129 O\n0.538129 0.315256 0.421229 O\n0.961871 0.684744 0.921229 O\n0.684744 0.921229 0.961871 O\n0.921229 0.961871 0.684744 O\n0.421229 0.961871 0.815256 O\n0.921229 0.538129 0.184744 O\n0.578771 0.461871 0.684744 O\n0.538129 0.184744 0.921229 O\n0.684744 0.578771 0.461871 O\n0.184744 0.921229 0.538129 O\n0.961871 0.815256 0.421229 O\n0.815256 0.421229 0.961871 O\n0.461871 0.684744 0.578771 O\n0.038129 0.315256 0.078771 O\n0.315256 0.078771 0.038129 O\n0.078771 0.038129 0.315256 O\n0.807772 0.269278 0.348004 O\n0.307772 0.230722 0.651996 O\n0.192228 0.769278 0.151996 O\n0.230722 0.651996 0.307772 O\n0.151996 0.192228 0.769278 O\n0.651996 0.307772 0.230722 O\n0.269278 0.348004 0.807772 O\n0.348004 0.807772 0.269278 O\n0.769278 0.151996 0.192228 O\n0.730722 0.848004 0.692228 O\n0.848004 0.692228 0.730722 O\n0.692228 0.730722 0.848004 O\n0.192228 0.730722 0.651996 O\n0.692228 0.769278 0.348004 O\n0.807772 0.230722 0.848004 O\n0.769278 0.348004 0.692228 O\n0.848004 0.807772 0.230722 O\n0.348004 0.692228 0.769278 O\n0.730722 0.651996 0.192228 O\n0.651996 0.192228 0.730722 O\n0.230722 0.848004 0.807772 O\n0.269278 0.151996 0.307772 O\n0.151996 0.307772 0.269278 O\n0.307772 0.269278 0.151996 O\n0.336514 0.336514 0.336514 O\n0.163486 0.836514 0.336514 O\n0.836514 0.336514 0.163486 O\n0.663486 0.663486 0.663486 O\n0.663486 0.836514 0.163486 O\n0.836514 0.163486 0.663486 O\n0.163486 0.663486 0.836514 O\n0.336514 0.163486 0.836514 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Na",
                "Al",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Al-H-Na-O-S",
            "density": 1.6439206142515441,
            "density_atomic": 0.10369127200640926,
            "volume": 1851.6505418906645,
            "volume_molar": 5.807760521664511,
            "formula_full": "Na4 Al4 H96 S8 O80",
            "formula_reduced": "NaAlH24(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1071.45908027,
            "energy_per_atom": -5.580516043072916,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1016.49908027,
            "band_gap": 5.3109,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.001721,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:28.228000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-699488",
            "created_at": "2022-09-04T14:42:14.060719Z",
            "structure_string": "Cs4 Ti4 H96 S8 O80\n1.0\n12.462642 0.000000 0.000000\n0.000000 12.475225 0.000000\n0.000000 0.000000 12.434224\nCs Ti H S O\n4 4 96 8 80\ndirect\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.509406 0.227914 0.222601 H\n0.009406 0.272086 0.777399 H\n0.490594 0.727914 0.277399 H\n0.990594 0.772086 0.722601 H\n0.490594 0.772086 0.777399 H\n0.990594 0.727914 0.222601 H\n0.509406 0.272086 0.722601 H\n0.009406 0.227914 0.277399 H\n0.627998 0.219738 0.184232 H\n0.127998 0.280262 0.815768 H\n0.372002 0.719738 0.315768 H\n0.872002 0.780262 0.684232 H\n0.372002 0.780262 0.815768 H\n0.872002 0.719738 0.184232 H\n0.627998 0.280262 0.684232 H\n0.127998 0.219738 0.315768 H\n0.778943 0.011071 0.269400 H\n0.278943 0.488929 0.730600 H\n0.221057 0.511071 0.230600 H\n0.721057 0.988929 0.769400 H\n0.221057 0.988929 0.730600 H\n0.721057 0.511071 0.269400 H\n0.778943 0.488929 0.769400 H\n0.278943 0.011071 0.230600 H\n0.816640 0.129289 0.280932 H\n0.316640 0.370711 0.719068 H\n0.183360 0.629289 0.219068 H\n0.683360 0.870711 0.780932 H\n0.183360 0.870711 0.719068 H\n0.683360 0.629289 0.280932 H\n0.816640 0.370711 0.780932 H\n0.316640 0.129289 0.219068 H\n0.728548 0.282087 0.491542 H\n0.228548 0.217913 0.508458 H\n0.271452 0.782087 0.008458 H\n0.771452 0.717913 0.991542 H\n0.271452 0.717913 0.508458 H\n0.771452 0.782087 0.491542 H\n0.728548 0.217913 0.991542 H\n0.228548 0.282087 0.008458 H\n0.720312 0.320678 0.372573 H\n0.220312 0.179322 0.627427 H\n0.279688 0.820678 0.127427 H\n0.779688 0.679322 0.872573 H\n0.279688 0.679322 0.627427 H\n0.779688 0.820678 0.372573 H\n0.720312 0.179322 0.872573 H\n0.220312 0.320678 0.127427 H\n0.713754 0.938797 0.477833 H\n0.213754 0.561203 0.522167 H\n0.286246 0.438797 0.022167 H\n0.786246 0.061203 0.977833 H\n0.286246 0.061203 0.522167 H\n0.786246 0.438797 0.477833 H\n0.713754 0.561203 0.977833 H\n0.213754 0.938797 0.022167 H\n0.708884 0.064615 0.521853 H\n0.208884 0.435385 0.478147 H\n0.291116 0.564615 0.978147 H\n0.791116 0.935385 0.021853 H\n0.291116 0.935385 0.478147 H\n0.791116 0.564615 0.521853 H\n0.708884 0.435385 0.021853 H\n0.208884 0.064615 0.978147 H\n0.521966 0.211763 0.565415 H\n0.021966 0.288237 0.434585 H\n0.478034 0.711763 0.934585 H\n0.978034 0.788237 0.065415 H\n0.478034 0.788237 0.434585 H\n0.978034 0.711763 0.565415 H\n0.521966 0.288237 0.065415 H\n0.021966 0.211763 0.934585 H\n0.473637 0.208166 0.441548 H\n0.973637 0.291834 0.558452 H\n0.526363 0.708166 0.058452 H\n0.026363 0.791834 0.941548 H\n0.526363 0.791834 0.558452 H\n0.026363 0.708166 0.441548 H\n0.473637 0.291834 0.941548 H\n0.973637 0.208166 0.058452 H\n0.438745 0.025777 0.286577 H\n0.938745 0.474223 0.713423 H\n0.561255 0.525777 0.213423 H\n0.061255 0.974223 0.786577 H\n0.561255 0.974223 0.713423 H\n0.061255 0.525777 0.286577 H\n0.438745 0.474223 0.786577 H\n0.938745 0.025777 0.213423 H\n0.561406 0.976872 0.289637 H\n0.061406 0.523128 0.710363 H\n0.438594 0.476872 0.210363 H\n0.938594 0.023128 0.789637 H\n0.438594 0.023128 0.710363 H\n0.938594 0.476872 0.289637 H\n0.561406 0.523128 0.789637 H\n0.061406 0.976872 0.210363 H\n0.826533 0.327151 0.171546 S\n0.326533 0.172849 0.828454 S\n0.173467 0.827151 0.328454 S\n0.673467 0.672849 0.671546 S\n0.173467 0.672849 0.828454 S\n0.673467 0.827151 0.171546 S\n0.826533 0.172849 0.671546 S\n0.326533 0.327151 0.328454 S\n0.757801 0.259532 0.243436 O\n0.257801 0.240468 0.756564 O\n0.242199 0.759532 0.256564 O\n0.742199 0.740468 0.743436 O\n0.242199 0.740468 0.756564 O\n0.742199 0.759532 0.243436 O\n0.757801 0.240468 0.743436 O\n0.257801 0.259532 0.256564 O\n0.778448 0.331606 0.061813 O\n0.278448 0.168394 0.938187 O\n0.221552 0.831606 0.438187 O\n0.721552 0.668394 0.561813 O\n0.221552 0.668394 0.938187 O\n0.721552 0.831606 0.061813 O\n0.778448 0.168394 0.561813 O\n0.278448 0.331606 0.438187 O\n0.936658 0.280404 0.164324 O\n0.436658 0.219596 0.835676 O\n0.063342 0.780404 0.335676 O\n0.563342 0.719596 0.664324 O\n0.063342 0.719596 0.835676 O\n0.563342 0.780404 0.164324 O\n0.936658 0.219596 0.664324 O\n0.436658 0.280404 0.335676 O\n0.834267 0.438570 0.215820 O\n0.334267 0.061430 0.784180 O\n0.165733 0.938570 0.284180 O\n0.665733 0.561430 0.715820 O\n0.165733 0.561430 0.784180 O\n0.665733 0.938570 0.215820 O\n0.834267 0.061430 0.715820 O\n0.334267 0.438570 0.284180 O\n0.553582 0.207362 0.159744 O\n0.053582 0.292638 0.840256 O\n0.446418 0.707362 0.340256 O\n0.946418 0.792638 0.659744 O\n0.446418 0.792638 0.840256 O\n0.946418 0.707362 0.159744 O\n0.553582 0.292638 0.659744 O\n0.053582 0.207362 0.340256 O\n0.840851 0.054661 0.292885 O\n0.340851 0.445339 0.707115 O\n0.159149 0.554661 0.207115 O\n0.659149 0.945339 0.792885 O\n0.159149 0.945339 0.707115 O\n0.659149 0.554661 0.292885 O\n0.840851 0.445339 0.792885 O\n0.340851 0.054661 0.207115 O\n0.706973 0.344524 0.447181 O\n0.206973 0.155476 0.552819 O\n0.293027 0.844524 0.052819 O\n0.793027 0.655476 0.947181 O\n0.293027 0.655476 0.552819 O\n0.793027 0.844524 0.447181 O\n0.706973 0.155476 0.947181 O\n0.206973 0.344524 0.052819 O\n0.664995 0.001250 0.498714 O\n0.164995 0.498750 0.501286 O\n0.335005 0.501250 0.001286 O\n0.835005 0.998750 0.998714 O\n0.335005 0.998750 0.501286 O\n0.835005 0.501250 0.498714 O\n0.664995 0.498750 0.998714 O\n0.164995 0.001250 0.001286 O\n0.495962 0.163659 0.504605 O\n0.995962 0.336341 0.495395 O\n0.504038 0.663659 0.995395 O\n0.004038 0.836341 0.004605 O\n0.504038 0.836341 0.495395 O\n0.004038 0.663659 0.504605 O\n0.495962 0.336341 0.004605 O\n0.995962 0.163659 0.995395 O\n0.500305 0.002628 0.334743 O\n0.000305 0.497372 0.665257 O\n0.499695 0.502628 0.165257 O\n0.999695 0.997372 0.834743 O\n0.499695 0.997372 0.665257 O\n0.999695 0.502628 0.334743 O\n0.500305 0.497372 0.834743 O\n0.000305 0.002628 0.165257 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "Ti",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Cs-H-O-S-Ti",
            "density": 2.0239832739859422,
            "density_atomic": 0.09931710115098605,
            "volume": 1933.2018129296132,
            "volume_molar": 6.063548664036104,
            "formula_full": "Cs4 Ti4 H96 S8 O80",
            "formula_reduced": "CsTiH24(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1082.97074194,
            "energy_per_atom": -5.640472614270833,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1028.01074194,
            "band_gap": 0.0857000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.0001992,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:37.598000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-646059",
            "created_at": "2022-09-04T14:48:09.536852Z",
            "structure_string": "C156 Cl36\n1.0\n6.530465 -11.311097 0.000000\n6.530465 11.311097 0.000000\n0.000000 0.000000 18.770566\nC Cl\n156 36\ndirect\n0.897968 0.642629 0.825722 C\n0.672172 0.847442 0.212688 C\n0.476435 0.451714 0.250000 C\n0.699924 0.455143 0.959448 C\n0.637925 0.630446 0.750000 C\n0.175270 0.327828 0.212688 C\n0.580323 0.369319 0.959409 C\n0.244781 0.699924 0.459448 C\n0.517815 0.976134 0.683435 C\n0.486773 0.947991 0.376082 C\n0.952098 0.286308 0.816634 C\n0.975279 0.523565 0.250000 C\n0.630446 0.992520 0.250000 C\n0.538782 0.486773 0.876082 C\n0.023866 0.541681 0.683435 C\n0.665790 0.952098 0.316634 C\n0.613651 0.642102 0.287291 C\n0.886814 0.500811 0.918433 C\n0.947991 0.461218 0.876082 C\n0.263977 0.872129 0.402418 C\n0.386004 0.886814 0.081567 C\n0.513227 0.052009 0.623918 C\n0.024721 0.476435 0.750000 C\n0.086487 0.661881 0.123840 C\n0.052009 0.538782 0.123918 C\n0.613651 0.642102 0.212709 C\n0.486773 0.947991 0.123918 C\n0.327828 0.152558 0.787312 C\n0.744661 0.102032 0.825722 C\n0.713692 0.665790 0.816634 C\n0.642102 0.028451 0.787291 C\n0.175270 0.327828 0.287312 C\n0.461218 0.513227 0.123918 C\n0.461218 0.513227 0.376082 C\n0.755219 0.300076 0.540552 C\n0.357371 0.255339 0.674278 C\n0.847442 0.175270 0.787312 C\n0.386349 0.357898 0.712709 C\n0.127871 0.391848 0.097582 C\n0.255339 0.897968 0.325722 C\n0.263977 0.872129 0.097582 C\n0.736023 0.127871 0.902418 C\n0.661881 0.575394 0.876160 C\n0.127871 0.391848 0.402418 C\n0.736023 0.127871 0.597582 C\n0.642629 0.744661 0.174278 C\n0.086487 0.661881 0.376160 C\n0.455143 0.755219 0.459448 C\n0.847442 0.175270 0.712688 C\n0.357371 0.255339 0.825722 C\n0.755219 0.300076 0.959448 C\n0.211003 0.580323 0.040591 C\n0.369319 0.788997 0.040591 C\n0.211003 0.580323 0.459409 C\n0.642102 0.028451 0.712709 C\n0.744661 0.102032 0.674278 C\n0.327828 0.152558 0.712688 C\n0.047902 0.713692 0.183366 C\n0.992520 0.362075 0.750000 C\n0.007480 0.637925 0.250000 C\n0.500811 0.613996 0.081567 C\n0.559047 0.818455 0.081370 C\n0.028451 0.386349 0.212709 C\n0.947991 0.461218 0.623918 C\n0.152558 0.824730 0.287312 C\n0.886814 0.500811 0.581567 C\n0.023866 0.541681 0.816565 C\n0.538782 0.486773 0.623918 C\n0.152558 0.824730 0.212688 C\n0.300076 0.544857 0.040552 C\n0.913513 0.338119 0.623840 C\n0.499189 0.386004 0.918433 C\n0.952098 0.286308 0.683366 C\n0.386349 0.357898 0.787291 C\n0.028451 0.386349 0.287291 C\n0.517815 0.976134 0.816565 C\n0.286308 0.334210 0.316634 C\n0.580323 0.369319 0.540591 C\n0.971549 0.613651 0.712709 C\n0.047902 0.713692 0.316634 C\n0.300076 0.544857 0.459448 C\n0.699924 0.455143 0.540552 C\n0.286308 0.334210 0.183366 C\n0.513227 0.052009 0.876082 C\n0.897968 0.642629 0.674278 C\n0.523565 0.548286 0.750000 C\n0.976134 0.458319 0.183435 C\n0.661881 0.575394 0.623840 C\n0.391848 0.263977 0.597582 C\n0.357898 0.971549 0.212709 C\n0.575394 0.913513 0.376160 C\n0.369554 0.007480 0.750000 C\n0.913513 0.338119 0.876160 C\n0.541681 0.517815 0.183435 C\n0.458319 0.482185 0.816565 C\n0.113186 0.499189 0.081567 C\n0.255339 0.897968 0.174278 C\n0.672172 0.847442 0.287312 C\n0.788997 0.419677 0.959409 C\n0.102032 0.357371 0.325722 C\n0.440953 0.181545 0.581370 C\n0.575394 0.913513 0.123840 C\n0.818455 0.259408 0.581370 C\n0.482185 0.023866 0.316565 C\n0.544857 0.244781 0.959448 C\n0.548286 0.024721 0.250000 C\n0.642629 0.744661 0.325722 C\n0.181545 0.740592 0.081370 C\n0.608152 0.736023 0.402418 C\n0.541681 0.517815 0.316565 C\n0.740592 0.559047 0.581370 C\n0.259408 0.440953 0.081370 C\n0.824730 0.672172 0.712688 C\n0.440953 0.181545 0.918630 C\n0.613996 0.113186 0.918433 C\n0.424606 0.086487 0.623840 C\n0.334210 0.047902 0.816634 C\n0.872129 0.608152 0.597582 C\n0.872129 0.608152 0.902418 C\n0.181545 0.740592 0.418630 C\n0.424606 0.086487 0.876160 C\n0.976134 0.458319 0.316565 C\n0.613996 0.113186 0.581567 C\n0.102032 0.357371 0.174278 C\n0.971549 0.613651 0.787291 C\n0.824730 0.672172 0.787312 C\n0.740592 0.559047 0.918630 C\n0.713692 0.665790 0.683366 C\n0.500811 0.613996 0.418433 C\n0.499189 0.386004 0.581567 C\n0.419677 0.630681 0.459409 C\n0.544857 0.244781 0.540552 C\n0.608152 0.736023 0.097582 C\n0.419677 0.630681 0.040591 C\n0.818455 0.259408 0.918630 C\n0.357898 0.971549 0.287291 C\n0.559047 0.818455 0.418630 C\n0.362075 0.369554 0.250000 C\n0.259408 0.440953 0.418630 C\n0.788997 0.419677 0.540591 C\n0.334210 0.047902 0.683366 C\n0.338119 0.424606 0.376160 C\n0.113186 0.499189 0.418433 C\n0.630681 0.211003 0.959409 C\n0.458319 0.482185 0.683435 C\n0.386004 0.886814 0.418433 C\n0.451714 0.975279 0.750000 C\n0.455143 0.755219 0.040552 C\n0.244781 0.699924 0.040552 C\n0.369319 0.788997 0.459409 C\n0.338119 0.424606 0.123840 C\n0.391848 0.263977 0.902418 C\n0.665790 0.952098 0.183366 C\n0.482185 0.023866 0.183435 C\n0.052009 0.538782 0.376082 C\n0.630681 0.211003 0.540591 C\n0.733937 0.767397 0.040342 Cl\n0.033460 0.266063 0.040342 Cl\n0.232603 0.966540 0.459658 Cl\n0.744979 0.810926 0.650705 Cl\n0.767397 0.033460 0.540342 Cl\n0.934052 0.744979 0.150705 Cl\n0.359533 0.533427 0.849538 Cl\n0.359533 0.533427 0.650462 Cl\n0.255021 0.189074 0.150705 Cl\n0.640467 0.466573 0.349538 Cl\n0.767397 0.033460 0.959658 Cl\n0.640467 0.466573 0.150462 Cl\n0.826106 0.359533 0.349538 Cl\n0.065948 0.255021 0.650705 Cl\n0.533427 0.173894 0.349538 Cl\n0.466573 0.826106 0.849538 Cl\n0.810926 0.065948 0.349295 Cl\n0.533427 0.173894 0.150462 Cl\n0.966540 0.733937 0.959658 Cl\n0.826106 0.359533 0.150462 Cl\n0.173894 0.640467 0.650462 Cl\n0.266063 0.232603 0.959658 Cl\n0.934052 0.744979 0.349295 Cl\n0.189074 0.934052 0.849295 Cl\n0.189074 0.934052 0.650705 Cl\n0.810926 0.065948 0.150705 Cl\n0.255021 0.189074 0.349295 Cl\n0.266063 0.232603 0.540342 Cl\n0.173894 0.640467 0.849538 Cl\n0.033460 0.266063 0.459658 Cl\n0.232603 0.966540 0.040342 Cl\n0.966540 0.733937 0.540342 Cl\n0.744979 0.810926 0.849295 Cl\n0.466573 0.826106 0.650462 Cl\n0.733937 0.767397 0.459658 Cl\n0.065948 0.255021 0.849295 Cl\n",
            "nsites": 192,
            "nelements": 2,
            "elements": [
                "C",
                "Cl"
            ],
            "chemical_system": "C-Cl",
            "density": 1.886254595233897,
            "density_atomic": 0.0692380824737147,
            "volume": 2773.040401182257,
            "volume_molar": 8.697728973482512,
            "formula_full": "C156 Cl36",
            "formula_reduced": "C13Cl3",
            "formula_anonymous": "A3B13",
            "energy": -1489.75827322,
            "energy_per_atom": -7.759157673020834,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1467.65427322,
            "band_gap": 2.0155000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024365,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:30.196000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-1213496",
            "created_at": "2022-09-04T14:41:14.426348Z",
            "structure_string": "K24 As24 O24 F120\n1.0\n0.000000 -0.000000 -9.720366\n0.000000 -11.697097 0.000000\n-29.513803 0.000000 0.000000\nK As O F\n24 24 24 120\ndirect\n0.770933 0.661644 0.833789 K\n0.229067 0.338356 0.166211 K\n0.270933 0.838356 0.666211 K\n0.729067 0.661644 0.166211 K\n0.729067 0.161644 0.333789 K\n0.270933 0.338356 0.833789 K\n0.229067 0.838356 0.333789 K\n0.770933 0.161644 0.666211 K\n0.750000 0.179582 0.000000 K\n0.250000 0.820418 0.000000 K\n0.250000 0.320418 0.500000 K\n0.750000 0.679582 0.500000 K\n0.749666 0.676582 0.667382 K\n0.250334 0.323418 0.332618 K\n0.249666 0.823418 0.832618 K\n0.750334 0.676582 0.332618 K\n0.750334 0.176582 0.167382 K\n0.249666 0.323418 0.667382 K\n0.250334 0.823418 0.167382 K\n0.749666 0.176582 0.832618 K\n0.750000 0.659626 0.000000 K\n0.250000 0.340374 0.000000 K\n0.250000 0.840374 0.500000 K\n0.750000 0.159626 0.500000 K\n0.579174 0.894093 0.757532 As\n0.420826 0.105907 0.242468 As\n0.079174 0.605907 0.742468 As\n0.920826 0.894093 0.242468 As\n0.920826 0.394093 0.257532 As\n0.079174 0.105907 0.757532 As\n0.420826 0.605907 0.257532 As\n0.579174 0.394093 0.742468 As\n0.891954 0.903915 0.583779 As\n0.108046 0.096085 0.416221 As\n0.391954 0.596085 0.916221 As\n0.608046 0.903915 0.416221 As\n0.608046 0.403915 0.083779 As\n0.391954 0.096085 0.583779 As\n0.108046 0.596085 0.083779 As\n0.891954 0.403915 0.916221 As\n0.928069 0.895805 0.919243 As\n0.071931 0.104195 0.080757 As\n0.428069 0.604195 0.580757 As\n0.571931 0.895805 0.080757 As\n0.571931 0.395805 0.419243 As\n0.428069 0.104195 0.919243 As\n0.071931 0.604195 0.419243 As\n0.928069 0.395805 0.580757 As\n0.762073 0.824721 0.918367 O\n0.237927 0.175279 0.081633 O\n0.262073 0.675279 0.581633 O\n0.737927 0.824721 0.081633 O\n0.737927 0.324721 0.418367 O\n0.262073 0.175279 0.918367 O\n0.237927 0.675279 0.418367 O\n0.762073 0.324721 0.581633 O\n0.749250 0.830995 0.755392 O\n0.250750 0.169005 0.244608 O\n0.249250 0.669005 0.744608 O\n0.750750 0.830995 0.244608 O\n0.750750 0.330995 0.255392 O\n0.249250 0.169005 0.755392 O\n0.250750 0.669005 0.255392 O\n0.749250 0.330995 0.744608 O\n0.896767 0.558109 0.920167 O\n0.103233 0.441891 0.079833 O\n0.396767 0.941891 0.579833 O\n0.603233 0.558109 0.079833 O\n0.603233 0.058109 0.420167 O\n0.396767 0.441891 0.920167 O\n0.103233 0.941891 0.420167 O\n0.896767 0.058109 0.579833 O\n0.879266 0.994143 0.876309 F\n0.120734 0.005857 0.123691 F\n0.379266 0.505857 0.623691 F\n0.620734 0.994143 0.123691 F\n0.620734 0.494143 0.376309 F\n0.379266 0.005857 0.876309 F\n0.120734 0.505857 0.376309 F\n0.879266 0.494143 0.623691 F\n0.727797 0.917384 0.556659 F\n0.272203 0.082616 0.443341 F\n0.227797 0.582616 0.943341 F\n0.772203 0.917384 0.443341 F\n0.772203 0.417384 0.056659 F\n0.227797 0.082616 0.556659 F\n0.272203 0.582616 0.056659 F\n0.727797 0.417384 0.943341 F\n0.978926 0.796257 0.962853 F\n0.021074 0.203743 0.037147 F\n0.478926 0.703743 0.537147 F\n0.521074 0.796257 0.037147 F\n0.521074 0.296257 0.462853 F\n0.478926 0.203743 0.962853 F\n0.021074 0.703743 0.462853 F\n0.978926 0.296257 0.537147 F\n0.623848 0.985219 0.803383 F\n0.376152 0.014781 0.196617 F\n0.123848 0.514781 0.696617 F\n0.876152 0.985219 0.196617 F\n0.876152 0.485219 0.303383 F\n0.123848 0.014781 0.803383 F\n0.376152 0.514781 0.303383 F\n0.623848 0.485219 0.696617 F\n0.556429 0.604454 0.890122 F\n0.443571 0.395546 0.109878 F\n0.056429 0.895546 0.609878 F\n0.943571 0.604454 0.109878 F\n0.943571 0.104454 0.390122 F\n0.056429 0.395546 0.890122 F\n0.443571 0.895546 0.390122 F\n0.556429 0.104454 0.609878 F\n0.622755 0.504622 0.781308 F\n0.377245 0.495378 0.218692 F\n0.122755 0.995378 0.718692 F\n0.877245 0.504622 0.218692 F\n0.877245 0.004622 0.281308 F\n0.122755 0.495378 0.781308 F\n0.377245 0.995378 0.281308 F\n0.622755 0.004622 0.718692 F\n0.598053 0.549878 0.579997 F\n0.401947 0.450122 0.420003 F\n0.098053 0.950122 0.920003 F\n0.901947 0.549878 0.420003 F\n0.901947 0.049878 0.079997 F\n0.098053 0.450122 0.579997 F\n0.401947 0.950122 0.079997 F\n0.598053 0.049878 0.920003 F\n0.531387 0.783240 0.796972 F\n0.468613 0.216760 0.203028 F\n0.031387 0.716760 0.703028 F\n0.968613 0.783240 0.203028 F\n0.968613 0.283240 0.296972 F\n0.031387 0.216760 0.796972 F\n0.468613 0.716760 0.296972 F\n0.531387 0.283240 0.703028 F\n0.983524 0.795358 0.876456 F\n0.016476 0.204642 0.123544 F\n0.483524 0.704642 0.623544 F\n0.516476 0.795358 0.123544 F\n0.516476 0.295358 0.376456 F\n0.483524 0.204642 0.876456 F\n0.016476 0.704642 0.376456 F\n0.983524 0.295358 0.623544 F\n0.868678 0.752513 0.586684 F\n0.131322 0.247487 0.413316 F\n0.368678 0.747487 0.913316 F\n0.631322 0.752513 0.413316 F\n0.631322 0.252513 0.086684 F\n0.368678 0.247487 0.586684 F\n0.131322 0.747487 0.086684 F\n0.868678 0.252513 0.913316 F\n0.811938 0.911359 0.638487 F\n0.188062 0.088641 0.361513 F\n0.311938 0.588641 0.861513 F\n0.688062 0.911359 0.361513 F\n0.688062 0.411359 0.138487 F\n0.311938 0.088641 0.638487 F\n0.188062 0.588641 0.138487 F\n0.811938 0.411359 0.861513 F\n0.531903 0.802077 0.711108 F\n0.468097 0.197923 0.288892 F\n0.031903 0.697923 0.788892 F\n0.968097 0.802077 0.288892 F\n0.968097 0.302077 0.211108 F\n0.031903 0.197923 0.711108 F\n0.468097 0.697923 0.211108 F\n0.531903 0.302077 0.788892 F\n0.971936 0.883275 0.529952 F\n0.028064 0.116725 0.470048 F\n0.471936 0.616725 0.970048 F\n0.528064 0.883275 0.470048 F\n0.528064 0.383275 0.029952 F\n0.471936 0.116725 0.529952 F\n0.028064 0.616725 0.029952 F\n0.971936 0.383275 0.970048 F\n0.875753 0.995100 0.961364 F\n0.124247 0.004900 0.038636 F\n0.375753 0.504900 0.538636 F\n0.624247 0.995100 0.038636 F\n0.624247 0.495100 0.461364 F\n0.375753 0.004900 0.961364 F\n0.124247 0.504900 0.461364 F\n0.875753 0.495100 0.538636 F\n0.906087 0.557543 0.740899 F\n0.093913 0.442457 0.259101 F\n0.406087 0.942457 0.759101 F\n0.593913 0.557543 0.259101 F\n0.593913 0.057543 0.240899 F\n0.406087 0.442457 0.740899 F\n0.093913 0.942457 0.240899 F\n0.906087 0.057543 0.759101 F\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "K",
                "As",
                "O",
                "F"
            ],
            "chemical_system": "As-F-K-O",
            "density": 2.6722606445366113,
            "density_atomic": 0.057215717113068575,
            "volume": 3355.7212893193905,
            "volume_molar": 10.525326018546904,
            "formula_full": "K24 As24 O24 F120",
            "formula_reduced": "KAsOF5",
            "formula_anonymous": "ABCD5",
            "energy": -936.98319764,
            "energy_per_atom": -4.8801208210416664,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -865.05519764,
            "band_gap": 0.5423,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 24.017723,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:18.650000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-667742",
            "created_at": "2022-09-04T14:40:27.221801Z",
            "structure_string": "Sb16 Se80 F96\n1.0\n13.676927 0.000000 -4.678239\n0.000000 16.680643 0.000000\n-0.341633 0.000000 20.344991\nSb Se F\n16 80 96\ndirect\n0.484291 0.313870 0.033287 Sb\n0.608496 0.068996 0.371385 Sb\n0.515709 0.686130 0.966713 Sb\n0.108496 0.431004 0.371385 Sb\n0.891504 0.568996 0.628615 Sb\n0.391504 0.931004 0.628615 Sb\n0.663649 0.406422 0.366477 Sb\n0.984291 0.186130 0.033287 Sb\n0.534139 0.594029 0.148398 Sb\n0.034139 0.905971 0.148398 Sb\n0.965861 0.094029 0.851602 Sb\n0.336351 0.593578 0.633523 Sb\n0.015709 0.813870 0.966713 Sb\n0.465861 0.405971 0.851602 Sb\n0.836351 0.906422 0.633523 Sb\n0.163649 0.093578 0.366477 Sb\n0.464076 0.233884 0.156128 Se\n0.738024 0.815124 0.267820 Se\n0.724813 0.385512 0.095444 Se\n0.859980 0.617954 0.398729 Se\n0.372297 0.833817 0.292749 Se\n0.859372 0.734907 0.459672 Se\n0.463054 0.256500 0.482050 Se\n0.102664 0.673562 0.975549 Se\n0.828545 0.742346 0.935496 Se\n0.535924 0.766116 0.843872 Se\n0.867902 0.902267 0.291711 Se\n0.264693 0.296629 0.236761 Se\n0.872297 0.666183 0.292749 Se\n0.766642 0.721030 0.047684 Se\n0.964076 0.266116 0.156128 Se\n0.132098 0.097733 0.708289 Se\n0.963054 0.243500 0.482050 Se\n0.224813 0.114488 0.095444 Se\n0.854444 0.350015 0.193782 Se\n0.188003 0.429636 0.075743 Se\n0.942537 0.112377 0.537598 Se\n0.235307 0.796629 0.763239 Se\n0.557463 0.612377 0.462402 Se\n0.266642 0.778970 0.047684 Se\n0.145556 0.649985 0.806218 Se\n0.855722 0.120288 0.199979 Se\n0.640020 0.117954 0.601271 Se\n0.598884 0.434595 0.585797 Se\n0.461577 0.224817 0.658806 Se\n0.140628 0.265093 0.540328 Se\n0.238024 0.684876 0.267820 Se\n0.602664 0.826438 0.975549 Se\n0.304445 0.402742 0.992153 Se\n0.901116 0.934595 0.414203 Se\n0.036946 0.756500 0.517950 Se\n0.144278 0.879712 0.800021 Se\n0.057463 0.887623 0.462402 Se\n0.354444 0.149985 0.193782 Se\n0.897336 0.326438 0.024451 Se\n0.098884 0.065405 0.585797 Se\n0.233358 0.278970 0.952316 Se\n0.397336 0.173562 0.024451 Se\n0.688003 0.070364 0.075743 Se\n0.764693 0.203371 0.236761 Se\n0.399798 0.165106 0.551031 Se\n0.671455 0.242346 0.064504 Se\n0.442537 0.387623 0.537598 Se\n0.127703 0.333817 0.707251 Se\n0.733358 0.221030 0.952316 Se\n0.899799 0.334894 0.551031 Se\n0.401116 0.565405 0.414203 Se\n0.761976 0.315124 0.732180 Se\n0.367902 0.597733 0.291711 Se\n0.140020 0.382046 0.601271 Se\n0.359980 0.882046 0.398729 Se\n0.735307 0.703371 0.763239 Se\n0.261976 0.184876 0.732180 Se\n0.035924 0.733884 0.843872 Se\n0.627703 0.166183 0.707251 Se\n0.038422 0.724817 0.341194 Se\n0.195555 0.902742 0.007847 Se\n0.644278 0.620288 0.800021 Se\n0.811997 0.570364 0.924256 Se\n0.695555 0.597258 0.007847 Se\n0.775187 0.885513 0.904556 Se\n0.640628 0.234907 0.540328 Se\n0.171455 0.257654 0.064504 Se\n0.600201 0.834894 0.448969 Se\n0.804445 0.097258 0.992153 Se\n0.536946 0.743500 0.517950 Se\n0.538423 0.775183 0.341194 Se\n0.645556 0.850015 0.806218 Se\n0.961577 0.275183 0.658806 Se\n0.632098 0.402267 0.708289 Se\n0.328545 0.757654 0.935496 Se\n0.359372 0.765093 0.459672 Se\n0.275187 0.614487 0.904556 Se\n0.100202 0.665106 0.448969 Se\n0.311997 0.929636 0.924256 Se\n0.355722 0.379712 0.199979 Se\n0.907866 0.848023 0.583908 F\n0.092765 0.137537 0.862108 F\n0.225709 0.664007 0.593860 F\n0.263352 0.535678 0.681284 F\n0.938844 0.189735 0.899710 F\n0.353394 0.139232 0.931443 F\n0.999839 0.995351 0.818092 F\n0.885863 0.836478 0.712766 F\n0.656506 0.723263 0.675311 F\n0.499839 0.504649 0.818092 F\n0.447611 0.523322 0.669093 F\n0.968937 0.665109 0.643817 F\n0.500161 0.495351 0.181908 F\n0.183714 0.529700 0.385570 F\n0.638299 0.090114 0.288103 F\n0.726165 0.125798 0.424742 F\n0.580249 0.049175 0.456093 F\n0.398057 0.936754 0.876990 F\n0.507211 0.990045 0.680533 F\n0.861701 0.590114 0.711897 F\n0.134834 0.619237 0.224076 F\n0.361701 0.909886 0.711897 F\n0.215163 0.024205 0.446089 F\n0.387769 0.818378 0.099367 F\n0.407866 0.651977 0.583908 F\n0.601943 0.063246 0.123010 F\n0.837928 0.054746 0.842919 F\n0.101943 0.436754 0.123010 F\n0.087568 0.854775 0.237056 F\n0.052389 0.023322 0.330907 F\n0.080249 0.450825 0.456093 F\n0.407235 0.637537 0.137892 F\n0.061156 0.810265 0.100290 F\n0.097376 0.467284 0.997012 F\n0.646606 0.860768 0.068557 F\n0.438844 0.310265 0.899710 F\n0.887769 0.681622 0.099367 F\n0.736648 0.464323 0.318716 F\n0.816286 0.470300 0.614430 F\n0.597376 0.032716 0.997012 F\n0.843494 0.223263 0.324689 F\n0.865166 0.380763 0.775924 F\n0.715163 0.475795 0.446089 F\n0.853394 0.360768 0.931443 F\n0.907235 0.862463 0.137892 F\n0.519624 0.448815 0.946093 F\n0.412432 0.354775 0.762944 F\n0.092134 0.151977 0.416092 F\n0.634834 0.880763 0.224076 F\n0.980376 0.948815 0.053907 F\n0.773835 0.625798 0.575258 F\n0.552389 0.476678 0.330907 F\n0.992789 0.490045 0.319467 F\n0.561156 0.689735 0.100290 F\n0.725709 0.835993 0.593860 F\n0.343494 0.276737 0.324689 F\n0.365166 0.119237 0.775924 F\n0.419751 0.950825 0.543907 F\n0.531063 0.165109 0.356183 F\n0.592765 0.362463 0.862108 F\n0.774291 0.335993 0.406140 F\n0.284837 0.524205 0.553911 F\n0.138299 0.409886 0.288103 F\n0.031063 0.334891 0.356183 F\n0.614137 0.336478 0.287234 F\n0.226165 0.374202 0.424742 F\n0.662072 0.554746 0.157081 F\n0.337928 0.445254 0.842919 F\n0.236648 0.035677 0.318716 F\n0.019624 0.051185 0.946093 F\n0.912432 0.145225 0.762944 F\n0.316286 0.029700 0.614430 F\n0.156506 0.776737 0.675311 F\n0.587568 0.645225 0.237056 F\n0.947611 0.976678 0.669093 F\n0.468937 0.834891 0.643817 F\n0.273835 0.874202 0.575258 F\n0.114137 0.163522 0.287234 F\n0.385863 0.663522 0.712766 F\n0.898057 0.563246 0.876990 F\n0.763352 0.964322 0.681284 F\n0.274291 0.164008 0.406140 F\n0.902624 0.532716 0.002988 F\n0.683714 0.970300 0.385570 F\n0.146606 0.639232 0.068557 F\n0.007211 0.509955 0.680533 F\n0.919751 0.549175 0.543907 F\n0.162072 0.945254 0.157081 F\n0.480376 0.551185 0.053907 F\n0.112231 0.318378 0.900632 F\n0.612231 0.181622 0.900632 F\n0.592134 0.348023 0.416092 F\n0.402624 0.967284 0.002988 F\n0.000161 0.004649 0.181908 F\n0.784837 0.975795 0.553911 F\n0.492789 0.009955 0.319467 F\n",
            "nsites": 192,
            "nelements": 3,
            "elements": [
                "Sb",
                "Se",
                "F"
            ],
            "chemical_system": "F-Sb-Se",
            "density": 3.6302100466172456,
            "density_atomic": 0.041604861843187804,
            "volume": 4614.845272739134,
            "volume_molar": 14.474608238570655,
            "formula_full": "Sb16 Se80 F96",
            "formula_reduced": "SbSe5F6",
            "formula_anonymous": "AB5C6",
            "energy": -805.9336345699999,
            "energy_per_atom": -4.197571013385416,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -761.58163457,
            "band_gap": 0.0487,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.4793404,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:47.110000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-683883",
            "created_at": "2022-09-04T14:40:38.836327Z",
            "structure_string": "Al32 P32 O128\n1.0\n14.189724 0.000000 0.000000\n0.000000 15.363851 0.000000\n0.000000 0.000000 17.651337\nAl P O\n32 32 128\ndirect\n0.077955 0.599441 0.426535 Al\n0.422045 0.099441 0.426535 Al\n0.077955 0.900559 0.926535 Al\n0.214285 0.339636 0.539475 Al\n0.922045 0.400559 0.573465 Al\n0.554613 0.097528 0.934078 Al\n0.785715 0.839636 0.960525 Al\n0.577955 0.900559 0.573465 Al\n0.785715 0.660364 0.460525 Al\n0.445387 0.902472 0.065922 Al\n0.922045 0.099441 0.073465 Al\n0.285715 0.660364 0.039475 Al\n0.054613 0.402472 0.065922 Al\n0.555365 0.226732 0.159904 Al\n0.944635 0.773268 0.659904 Al\n0.944635 0.726732 0.159904 Al\n0.214285 0.160364 0.039475 Al\n0.444635 0.773268 0.840096 Al\n0.445387 0.597528 0.565922 Al\n0.444635 0.726732 0.340096 Al\n0.714285 0.160364 0.460525 Al\n0.577955 0.599441 0.073465 Al\n0.554613 0.402472 0.434078 Al\n0.945387 0.902472 0.434078 Al\n0.055365 0.273268 0.840096 Al\n0.555365 0.273268 0.659904 Al\n0.945387 0.597528 0.934078 Al\n0.055365 0.226732 0.340096 Al\n0.422045 0.400559 0.926535 Al\n0.714285 0.339636 0.960525 Al\n0.054613 0.097528 0.565922 Al\n0.285715 0.839636 0.539475 Al\n0.059907 0.226714 0.157802 P\n0.059907 0.273286 0.657802 P\n0.080445 0.900396 0.575802 P\n0.919555 0.099604 0.424198 P\n0.919555 0.400396 0.924198 P\n0.947405 0.596337 0.571272 P\n0.052595 0.403663 0.428728 P\n0.440093 0.726714 0.157802 P\n0.552595 0.096337 0.571272 P\n0.559907 0.226714 0.342198 P\n0.052595 0.096337 0.928728 P\n0.215263 0.338707 0.955826 P\n0.580445 0.599604 0.424198 P\n0.715263 0.338707 0.544174 P\n0.715263 0.161293 0.044174 P\n0.784737 0.661293 0.044174 P\n0.284737 0.838707 0.955826 P\n0.447405 0.596337 0.928728 P\n0.080445 0.599604 0.075802 P\n0.447405 0.903663 0.428728 P\n0.284737 0.661293 0.455826 P\n0.947405 0.903663 0.071272 P\n0.215263 0.161293 0.455826 P\n0.940093 0.773286 0.842198 P\n0.552595 0.403663 0.071272 P\n0.580445 0.900396 0.924198 P\n0.784737 0.838707 0.544174 P\n0.419555 0.099604 0.075802 P\n0.440093 0.773286 0.657802 P\n0.559907 0.273286 0.842198 P\n0.419555 0.400396 0.575802 P\n0.940093 0.726714 0.342198 P\n0.950839 0.008513 0.396626 O\n0.470199 0.177711 0.366258 O\n0.146243 0.102293 0.973489 O\n0.646243 0.397707 0.026511 O\n0.346732 0.684420 0.387623 O\n0.454419 0.995328 0.393904 O\n0.549161 0.991487 0.896626 O\n0.045581 0.004672 0.893904 O\n0.646625 0.313100 0.881218 O\n0.031688 0.613541 0.518053 O\n0.031688 0.886459 0.018053 O\n0.841044 0.893930 0.487170 O\n0.470199 0.322289 0.866258 O\n0.299581 0.391383 0.927063 O\n0.073618 0.218612 0.243174 O\n0.346732 0.815580 0.887623 O\n0.549070 0.337118 0.135550 O\n0.049328 0.176283 0.637094 O\n0.549328 0.176283 0.862906 O\n0.950672 0.676283 0.862906 O\n0.153268 0.315580 0.887623 O\n0.353757 0.602293 0.973489 O\n0.450930 0.837118 0.364450 O\n0.950930 0.662882 0.635550 O\n0.538985 0.618241 0.503315 O\n0.653268 0.184420 0.112377 O\n0.549161 0.508513 0.396626 O\n0.961015 0.381759 0.003315 O\n0.747294 0.756170 0.504637 O\n0.538985 0.881759 0.003315 O\n0.968312 0.386459 0.481947 O\n0.450672 0.676283 0.637094 O\n0.700419 0.608617 0.072937 O\n0.158956 0.393930 0.012830 O\n0.426382 0.781388 0.743174 O\n0.049070 0.337118 0.364450 O\n0.341044 0.606070 0.512830 O\n0.461015 0.118241 0.996685 O\n0.799581 0.108617 0.072937 O\n0.453008 0.331081 0.632856 O\n0.073618 0.281388 0.743174 O\n0.954419 0.504672 0.606096 O\n0.200419 0.891383 0.927063 O\n0.970199 0.177711 0.133742 O\n0.953008 0.331081 0.867144 O\n0.247294 0.756170 0.995363 O\n0.653268 0.315580 0.612377 O\n0.954419 0.995328 0.106096 O\n0.950672 0.823717 0.362906 O\n0.450839 0.491487 0.603374 O\n0.752706 0.256170 0.504637 O\n0.200419 0.608617 0.427063 O\n0.450672 0.823717 0.137094 O\n0.188430 0.601101 0.069941 O\n0.752706 0.243830 0.004637 O\n0.045581 0.495328 0.393904 O\n0.841044 0.606070 0.987170 O\n0.953008 0.168919 0.367144 O\n0.700419 0.891383 0.572937 O\n0.252706 0.243830 0.495363 O\n0.573618 0.281388 0.756826 O\n0.046992 0.668919 0.132856 O\n0.153268 0.184420 0.387623 O\n0.049328 0.323717 0.137094 O\n0.029801 0.677711 0.366258 O\n0.573618 0.218612 0.256826 O\n0.146243 0.397707 0.473489 O\n0.646243 0.102293 0.526511 O\n0.454419 0.504672 0.893904 O\n0.453008 0.168919 0.132856 O\n0.049161 0.991487 0.603374 O\n0.252706 0.256170 0.995363 O\n0.426382 0.718612 0.243174 O\n0.688430 0.898899 0.930059 O\n0.811570 0.101101 0.430059 O\n0.529801 0.677711 0.133742 O\n0.450839 0.008513 0.103374 O\n0.158956 0.106070 0.512830 O\n0.546992 0.831081 0.867144 O\n0.853375 0.813100 0.881218 O\n0.646625 0.186900 0.381218 O\n0.146625 0.313100 0.618782 O\n0.658956 0.106070 0.987170 O\n0.950930 0.837118 0.135550 O\n0.049161 0.508513 0.103374 O\n0.468312 0.386459 0.018053 O\n0.961015 0.118241 0.503315 O\n0.926382 0.781388 0.756826 O\n0.311570 0.398899 0.569941 O\n0.468312 0.113541 0.518053 O\n0.531688 0.613541 0.981947 O\n0.545581 0.004672 0.606096 O\n0.549328 0.323717 0.362906 O\n0.853757 0.897707 0.026511 O\n0.311570 0.101101 0.069941 O\n0.747294 0.743830 0.004637 O\n0.549070 0.162882 0.635550 O\n0.038985 0.881759 0.496685 O\n0.038985 0.618241 0.996685 O\n0.658956 0.393930 0.487170 O\n0.146625 0.186900 0.118782 O\n0.299581 0.108617 0.427063 O\n0.529801 0.822289 0.633742 O\n0.853375 0.686900 0.381218 O\n0.188430 0.898899 0.569941 O\n0.799581 0.391383 0.572937 O\n0.341044 0.893930 0.012830 O\n0.353375 0.686900 0.118782 O\n0.531688 0.886459 0.481947 O\n0.846732 0.815580 0.612377 O\n0.545581 0.495328 0.106096 O\n0.688430 0.601101 0.430059 O\n0.811570 0.398899 0.930059 O\n0.450930 0.662882 0.864450 O\n0.046992 0.831081 0.632856 O\n0.461015 0.381759 0.496685 O\n0.950839 0.491487 0.896626 O\n0.853757 0.602293 0.526511 O\n0.353375 0.813100 0.618782 O\n0.926382 0.718612 0.256826 O\n0.353757 0.897707 0.473489 O\n0.029801 0.822289 0.866258 O\n0.546992 0.668919 0.367144 O\n0.247294 0.743830 0.495363 O\n0.846732 0.684420 0.112377 O\n0.970199 0.322289 0.633742 O\n0.049070 0.162882 0.864450 O\n0.968312 0.113541 0.981947 O\n",
            "nsites": 192,
            "nelements": 3,
            "elements": [
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P",
            "density": 1.6839902341061168,
            "density_atomic": 0.04989414527344329,
            "volume": 3848.1468907373815,
            "volume_molar": 12.069834500612943,
            "formula_full": "Al32 P32 O128",
            "formula_reduced": "AlPO4",
            "formula_anonymous": "ABC4",
            "energy": -1522.20779133,
            "energy_per_atom": -7.92816557984375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1434.27179133,
            "band_gap": 5.5534,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002573,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:05.603000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1204829",
            "created_at": "2022-09-04T14:39:39.607768Z",
            "structure_string": "Cr16 Xe16 F160\n1.0\n0.000000 -8.669619 -0.000000\n-19.052613 0.000000 0.000000\n0.000000 0.000000 -18.998539\nCr Xe F\n16 16 160\ndirect\n0.050205 0.165093 0.167168 Cr\n0.449795 0.665093 0.832832 Cr\n0.550205 0.834907 0.332832 Cr\n0.949795 0.334907 0.667168 Cr\n0.949795 0.834907 0.832832 Cr\n0.550205 0.334907 0.167168 Cr\n0.449795 0.165093 0.667168 Cr\n0.050205 0.665093 0.332832 Cr\n0.177974 0.328274 0.069900 Cr\n0.322026 0.828274 0.930100 Cr\n0.677974 0.671726 0.430100 Cr\n0.822026 0.171726 0.569900 Cr\n0.822026 0.671726 0.930100 Cr\n0.677974 0.171726 0.069900 Cr\n0.322026 0.328274 0.569900 Cr\n0.177974 0.828274 0.430100 Cr\n0.731945 0.100431 0.274015 Xe\n0.768055 0.600431 0.725985 Xe\n0.231945 0.899569 0.225985 Xe\n0.268055 0.399569 0.774015 Xe\n0.268055 0.899569 0.725985 Xe\n0.231945 0.399569 0.274015 Xe\n0.768055 0.100431 0.774015 Xe\n0.731945 0.600431 0.225985 Xe\n0.749388 0.376694 0.967427 Xe\n0.750612 0.876694 0.032573 Xe\n0.249388 0.623306 0.532573 Xe\n0.250612 0.123306 0.467427 Xe\n0.250612 0.623306 0.032573 Xe\n0.249388 0.123306 0.967427 Xe\n0.750612 0.376694 0.467427 Xe\n0.749388 0.876694 0.532573 Xe\n0.650167 0.057531 0.361386 F\n0.849833 0.557531 0.638614 F\n0.150167 0.942469 0.138614 F\n0.349833 0.442469 0.861386 F\n0.349833 0.942469 0.638614 F\n0.150167 0.442469 0.361386 F\n0.849833 0.057531 0.861386 F\n0.650167 0.557531 0.138614 F\n0.701317 0.187529 0.330591 F\n0.798683 0.687529 0.669409 F\n0.201317 0.812471 0.169409 F\n0.298683 0.312471 0.830591 F\n0.298683 0.812471 0.669409 F\n0.201317 0.312471 0.330591 F\n0.798683 0.187529 0.830591 F\n0.701317 0.687529 0.169409 F\n0.505451 0.106956 0.256976 F\n0.994549 0.606956 0.743024 F\n0.005451 0.893044 0.243024 F\n0.494549 0.393044 0.756976 F\n0.494549 0.893044 0.743024 F\n0.005451 0.393044 0.256976 F\n0.994549 0.106956 0.756976 F\n0.505451 0.606956 0.243024 F\n0.726114 0.000396 0.245395 F\n0.773886 0.500396 0.754605 F\n0.226114 0.999604 0.254605 F\n0.273886 0.499604 0.745395 F\n0.273886 0.999604 0.754605 F\n0.226114 0.499604 0.245395 F\n0.773886 0.000396 0.745395 F\n0.726114 0.500396 0.254605 F\n0.923584 0.085028 0.328872 F\n0.576416 0.585028 0.671128 F\n0.423584 0.914972 0.171128 F\n0.076416 0.414972 0.828872 F\n0.076416 0.914972 0.671128 F\n0.423584 0.414972 0.328872 F\n0.576416 0.085028 0.828872 F\n0.923584 0.585028 0.171128 F\n0.738458 0.427865 0.877270 F\n0.761542 0.927865 0.122730 F\n0.238458 0.572135 0.622730 F\n0.261542 0.072135 0.377270 F\n0.261542 0.572135 0.122730 F\n0.238458 0.072135 0.877270 F\n0.761542 0.427865 0.377270 F\n0.738458 0.927865 0.622730 F\n0.592031 0.448647 0.990209 F\n0.907969 0.948647 0.009791 F\n0.092031 0.551353 0.509791 F\n0.407969 0.051353 0.490209 F\n0.407969 0.551353 0.009791 F\n0.092031 0.051353 0.990209 F\n0.907969 0.448647 0.490209 F\n0.592031 0.948647 0.509791 F\n0.902105 0.452363 0.983147 F\n0.597895 0.952363 0.016853 F\n0.402105 0.547637 0.516853 F\n0.097895 0.047637 0.483147 F\n0.097895 0.547637 0.016853 F\n0.402105 0.047637 0.983147 F\n0.597895 0.452363 0.483147 F\n0.902105 0.952363 0.516853 F\n0.891902 0.319572 0.909245 F\n0.608098 0.819572 0.090755 F\n0.391902 0.680428 0.590755 F\n0.108098 0.180428 0.409245 F\n0.108098 0.680428 0.090755 F\n0.391902 0.180428 0.909245 F\n0.608098 0.319572 0.409245 F\n0.891902 0.819572 0.590755 F\n0.576228 0.326525 0.921094 F\n0.923772 0.826525 0.078906 F\n0.076228 0.673475 0.578906 F\n0.423772 0.173475 0.421094 F\n0.423772 0.673475 0.078906 F\n0.076228 0.173475 0.921094 F\n0.923772 0.326525 0.421094 F\n0.576228 0.826525 0.578906 F\n0.192474 0.156032 0.232265 F\n0.307526 0.656032 0.767735 F\n0.692474 0.843968 0.267735 F\n0.807526 0.343968 0.732265 F\n0.807526 0.843968 0.767735 F\n0.692474 0.343968 0.232265 F\n0.307526 0.156032 0.732265 F\n0.192474 0.656032 0.267735 F\n0.955911 0.079212 0.190203 F\n0.544089 0.579212 0.809797 F\n0.455911 0.920788 0.309797 F\n0.044089 0.420788 0.690203 F\n0.044089 0.920788 0.809797 F\n0.455911 0.420788 0.190203 F\n0.544089 0.079212 0.690203 F\n0.955911 0.579212 0.309797 F\n0.907164 0.202277 0.228309 F\n0.592836 0.702277 0.771691 F\n0.407164 0.797723 0.271691 F\n0.092836 0.297723 0.728309 F\n0.092836 0.797723 0.771691 F\n0.407164 0.297723 0.228309 F\n0.592836 0.202277 0.728309 F\n0.907164 0.702277 0.271691 F\n0.131004 0.258909 0.144552 F\n0.368996 0.758909 0.855448 F\n0.631004 0.741091 0.355448 F\n0.868996 0.241091 0.644552 F\n0.868996 0.741091 0.855448 F\n0.631004 0.241091 0.144552 F\n0.368996 0.258909 0.644552 F\n0.131004 0.758909 0.355448 F\n0.170615 0.124984 0.097486 F\n0.329385 0.624984 0.902514 F\n0.670615 0.875016 0.402514 F\n0.829385 0.375016 0.597486 F\n0.829385 0.875016 0.902514 F\n0.670615 0.375016 0.097486 F\n0.329385 0.124984 0.597486 F\n0.170615 0.624984 0.402514 F\n0.227156 0.391166 0.005993 F\n0.272844 0.891166 0.994007 F\n0.727156 0.608834 0.494007 F\n0.772844 0.108834 0.505993 F\n0.772844 0.608834 0.994007 F\n0.727156 0.108834 0.005993 F\n0.272844 0.391166 0.505993 F\n0.227156 0.891166 0.494007 F\n0.967313 0.334474 0.048488 F\n0.532687 0.834474 0.951512 F\n0.467313 0.665526 0.451512 F\n0.032687 0.165526 0.548488 F\n0.032687 0.665526 0.951512 F\n0.467313 0.165526 0.048488 F\n0.532687 0.334474 0.548488 F\n0.967313 0.834474 0.451512 F\n0.204633 0.252069 0.013007 F\n0.295367 0.752069 0.986993 F\n0.704633 0.747931 0.486993 F\n0.795367 0.247931 0.513007 F\n0.795367 0.747931 0.986993 F\n0.704633 0.247931 0.013007 F\n0.295367 0.252069 0.513007 F\n0.204633 0.752069 0.486993 F\n0.398474 0.320065 0.094074 F\n0.101526 0.820065 0.905926 F\n0.898474 0.679935 0.405926 F\n0.601526 0.179935 0.594074 F\n0.601526 0.679935 0.905926 F\n0.898474 0.179935 0.094074 F\n0.101526 0.320065 0.594074 F\n0.398474 0.820065 0.405926 F\n0.159727 0.392158 0.142321 F\n0.340273 0.892158 0.857679 F\n0.659727 0.607842 0.357679 F\n0.840273 0.107842 0.642321 F\n0.840273 0.607842 0.857679 F\n0.659727 0.107842 0.142321 F\n0.340273 0.392158 0.642321 F\n0.159727 0.892158 0.357679 F\n",
            "nsites": 192,
            "nelements": 3,
            "elements": [
                "Cr",
                "Xe",
                "F"
            ],
            "chemical_system": "Cr-F-Xe",
            "density": 3.160247147170878,
            "density_atomic": 0.06118239390418808,
            "volume": 3138.157691257928,
            "volume_molar": 9.842930908245764,
            "formula_full": "Cr16 Xe16 F160",
            "formula_reduced": "CrXeF10",
            "formula_anonymous": "ABC10",
            "energy": -755.35957016,
            "energy_per_atom": -3.9341644279166665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -649.45557016,
            "band_gap": 1.5185,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 32.0007599,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:31.385000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-24523",
            "created_at": "2022-09-04T14:44:17.809074Z",
            "structure_string": "Cs4 Al4 H96 Se8 O80\n1.0\n12.678505 0.000000 0.000000\n0.000000 12.678505 0.000000\n0.000000 0.000000 12.678505\nCs Al H Se O\n4 4 96 8 80\ndirect\n0.500000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.700128 0.024635 0.450971 H\n0.200128 0.475365 0.549029 H\n0.299872 0.524635 0.049029 H\n0.475365 0.549029 0.200128 H\n0.049029 0.299872 0.524635 H\n0.549029 0.200128 0.475365 H\n0.024635 0.450971 0.700128 H\n0.450971 0.700128 0.024635 H\n0.524635 0.049029 0.299872 H\n0.975365 0.950971 0.799872 H\n0.950971 0.799872 0.975365 H\n0.799872 0.975365 0.950971 H\n0.299872 0.975365 0.549029 H\n0.799872 0.524635 0.450971 H\n0.700128 0.475365 0.950971 H\n0.524635 0.450971 0.799872 H\n0.950971 0.700128 0.475365 H\n0.450971 0.799872 0.524635 H\n0.975365 0.549029 0.299872 H\n0.549029 0.299872 0.975365 H\n0.475365 0.950971 0.700128 H\n0.024635 0.049029 0.200128 H\n0.049029 0.200128 0.024635 H\n0.200128 0.024635 0.049029 H\n0.685310 0.034397 0.579149 H\n0.185310 0.465603 0.420851 H\n0.314690 0.534397 0.920851 H\n0.465603 0.420851 0.185310 H\n0.920851 0.314690 0.534397 H\n0.420851 0.185310 0.465603 H\n0.034397 0.579149 0.685310 H\n0.579149 0.685310 0.034397 H\n0.534397 0.920851 0.314690 H\n0.965603 0.079149 0.814690 H\n0.079149 0.814690 0.965603 H\n0.814690 0.965603 0.079149 H\n0.314690 0.965603 0.420851 H\n0.814690 0.534397 0.579149 H\n0.685310 0.465603 0.079149 H\n0.534397 0.579149 0.814690 H\n0.079149 0.685310 0.465603 H\n0.579149 0.814690 0.534397 H\n0.965603 0.420851 0.314690 H\n0.420851 0.314690 0.965603 H\n0.465603 0.079149 0.685310 H\n0.034397 0.920851 0.185310 H\n0.920851 0.185310 0.034397 H\n0.616171 0.167194 0.222140 H\n0.497232 0.198731 0.226185 H\n0.997232 0.301269 0.773815 H\n0.502768 0.698731 0.273815 H\n0.301269 0.773815 0.997232 H\n0.273815 0.502768 0.698731 H\n0.773815 0.997232 0.301269 H\n0.198731 0.226185 0.497232 H\n0.226185 0.497232 0.198731 H\n0.698731 0.273815 0.502768 H\n0.801269 0.726185 0.002768 H\n0.726185 0.002768 0.801269 H\n0.002768 0.801269 0.726185 H\n0.502768 0.801269 0.773815 H\n0.002768 0.698731 0.226185 H\n0.497232 0.301269 0.726185 H\n0.698731 0.226185 0.002768 H\n0.726185 0.497232 0.301269 H\n0.226185 0.002768 0.698731 H\n0.801269 0.773815 0.502768 H\n0.773815 0.502768 0.801269 H\n0.301269 0.726185 0.497232 H\n0.198731 0.273815 0.997232 H\n0.273815 0.997232 0.198731 H\n0.997232 0.198731 0.273815 H\n0.116171 0.167194 0.277860 H\n0.277860 0.116171 0.167194 H\n0.167194 0.277860 0.116171 H\n0.332806 0.722140 0.616171 H\n0.777860 0.383829 0.832806 H\n0.832806 0.777860 0.383829 H\n0.222140 0.883829 0.667194 H\n0.722140 0.616171 0.332806 H\n0.667194 0.222140 0.883829 H\n0.616171 0.332806 0.722140 H\n0.883829 0.667194 0.222140 H\n0.383829 0.832806 0.777860 H\n0.883829 0.832806 0.722140 H\n0.722140 0.883829 0.832806 H\n0.832806 0.722140 0.883829 H\n0.667194 0.277860 0.383829 H\n0.222140 0.616171 0.167194 H\n0.167194 0.222140 0.616171 H\n0.777860 0.116171 0.332806 H\n0.277860 0.383829 0.667194 H\n0.332806 0.777860 0.116171 H\n0.383829 0.667194 0.277860 H\n0.116171 0.332806 0.777860 H\n0.185310 0.034397 0.920851 H\n0.309276 0.190724 0.809276 Se\n0.809276 0.190724 0.690724 Se\n0.190724 0.690724 0.809276 Se\n0.309276 0.309276 0.309276 Se\n0.690724 0.809276 0.190724 Se\n0.690724 0.690724 0.690724 Se\n0.190724 0.809276 0.309276 Se\n0.809276 0.309276 0.190724 Se\n0.544441 0.137269 0.213447 O\n0.044441 0.362731 0.786553 O\n0.455559 0.637269 0.286553 O\n0.362731 0.786553 0.044441 O\n0.286553 0.455559 0.637269 O\n0.786553 0.044441 0.362731 O\n0.137269 0.213447 0.544441 O\n0.213447 0.544441 0.137269 O\n0.637269 0.286553 0.455559 O\n0.862731 0.713447 0.955559 O\n0.713447 0.955559 0.862731 O\n0.955559 0.862731 0.713447 O\n0.455559 0.862731 0.786553 O\n0.955559 0.637269 0.213447 O\n0.544441 0.362731 0.713447 O\n0.637269 0.213447 0.955559 O\n0.713447 0.544441 0.362731 O\n0.213447 0.955559 0.637269 O\n0.862731 0.786553 0.455559 O\n0.786553 0.455559 0.862731 O\n0.362731 0.713447 0.544441 O\n0.137269 0.286553 0.044441 O\n0.286553 0.044441 0.137269 O\n0.044441 0.137269 0.286553 O\n0.149339 0.012519 0.987621 O\n0.987621 0.149339 0.012519 O\n0.012519 0.987621 0.149339 O\n0.487481 0.012379 0.649339 O\n0.487621 0.350661 0.987481 O\n0.987481 0.487621 0.350661 O\n0.512379 0.850661 0.512519 O\n0.012379 0.649339 0.487481 O\n0.512519 0.512379 0.850661 O\n0.649339 0.487481 0.012379 O\n0.850661 0.512519 0.512379 O\n0.350661 0.987481 0.487621 O\n0.850661 0.987481 0.012379 O\n0.012379 0.850661 0.987481 O\n0.987481 0.012379 0.850661 O\n0.512519 0.987621 0.350661 O\n0.512379 0.649339 0.012519 O\n0.012519 0.512379 0.649339 O\n0.487621 0.149339 0.487481 O\n0.987621 0.350661 0.512519 O\n0.487481 0.487621 0.149339 O\n0.350661 0.512519 0.987621 O\n0.149339 0.487481 0.487621 O\n0.649339 0.012519 0.512379 O\n0.815390 0.258421 0.068931 O\n0.315390 0.241579 0.931069 O\n0.184610 0.758421 0.431069 O\n0.241579 0.931069 0.315390 O\n0.431069 0.184610 0.758421 O\n0.931069 0.315390 0.241579 O\n0.258421 0.068931 0.815390 O\n0.068931 0.815390 0.258421 O\n0.758421 0.431069 0.184610 O\n0.741579 0.568931 0.684610 O\n0.568931 0.684610 0.741579 O\n0.684610 0.741579 0.568931 O\n0.184610 0.741579 0.931069 O\n0.684610 0.758421 0.068931 O\n0.815390 0.241579 0.568931 O\n0.758421 0.068931 0.684610 O\n0.568931 0.815390 0.241579 O\n0.068931 0.684610 0.758421 O\n0.741579 0.931069 0.184610 O\n0.931069 0.184610 0.741579 O\n0.241579 0.568931 0.815390 O\n0.258421 0.431069 0.315390 O\n0.431069 0.315390 0.258421 O\n0.315390 0.258421 0.431069 O\n0.232528 0.232528 0.232528 O\n0.267472 0.732528 0.232528 O\n0.732528 0.232528 0.267472 O\n0.767472 0.767472 0.767472 O\n0.767472 0.732528 0.267472 O\n0.732528 0.267472 0.767472 O\n0.267472 0.767472 0.732528 O\n0.232528 0.267472 0.732528 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "Al",
                "H",
                "Se",
                "O"
            ],
            "chemical_system": "Al-Cs-H-O-Se",
            "density": 2.1575131927692563,
            "density_atomic": 0.09421001869124168,
            "volume": 2037.9998079530096,
            "volume_molar": 6.392250891846871,
            "formula_full": "Cs4 Al4 H96 Se8 O80",
            "formula_reduced": "CsAlH24(SeO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1040.98240861,
            "energy_per_atom": -5.421783378177083,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -986.02240861,
            "band_gap": 4.2024,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0025796,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:27.116000Z",
            "spacegroup": 205
        }
    ]
}