GET /third-parties/MatprojStructure/?format=api&ordering=nsites&page=12167
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=12168",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=12166",
    "results": [
        {
            "id": "mp-647265",
            "created_at": "2022-09-04T14:39:41.683481Z",
            "structure_string": "V16 Bi56 O120\n1.0\n11.585097 0.066947 -1.262964\n-5.915323 9.958735 -1.283196\n-0.031634 -0.119785 26.782102\nV Bi O\n16 56 120\ndirect\n0.644466 0.252380 0.187896 V\n0.308837 0.060043 0.060103 V\n0.164297 0.566576 0.435931 V\n0.756693 0.225995 0.694254 V\n0.835703 0.433424 0.564069 V\n0.435515 0.543429 0.687896 V\n0.968259 0.937561 0.194254 V\n0.355534 0.747620 0.812104 V\n0.369355 0.271634 0.935931 V\n0.564485 0.456571 0.312104 V\n0.031741 0.062439 0.805746 V\n0.630645 0.728366 0.064069 V\n0.499941 0.248734 0.439897 V\n0.691163 0.939957 0.939897 V\n0.500059 0.751266 0.560103 V\n0.243307 0.774005 0.305746 V\n0.300042 0.270264 0.179069 Bi\n0.302256 0.930117 0.187063 Bi\n0.833468 0.582656 0.439191 Bi\n0.699958 0.729736 0.820931 Bi\n0.843507 0.114030 0.559334 Bi\n0.488104 0.397497 0.556445 Bi\n0.356535 0.605723 0.939191 Bi\n0.815691 0.768706 0.562189 Bi\n0.293483 0.746498 0.062189 Bi\n0.581094 0.811338 0.316474 Bi\n0.097302 0.210377 0.685972 Bi\n0.024405 0.411330 0.814028 Bi\n0.643465 0.394277 0.060809 Bi\n0.029551 0.599676 0.939519 Bi\n0.470323 0.072042 0.562922 Bi\n0.658948 0.068342 0.056445 Bi\n0.757103 0.553105 0.690124 Bi\n0.864012 0.259693 0.453031 Bi\n0.299839 0.608997 0.177834 Bi\n0.005136 0.735380 0.816474 Bi\n0.511896 0.602503 0.443555 Bi\n0.697744 0.069883 0.812937 Bi\n0.839844 0.909968 0.439519 Bi\n0.706517 0.253502 0.937811 Bi\n0.184309 0.231294 0.437811 Bi\n0.591195 0.120973 0.320931 Bi\n0.931163 0.122005 0.322166 Bi\n0.068837 0.877995 0.677834 Bi\n0.242897 0.446895 0.309876 Bi\n0.970449 0.400324 0.060481 Bi\n0.756946 0.884806 0.687063 Bi\n0.380266 0.411219 0.815754 Bi\n0.243054 0.115194 0.312937 Bi\n0.341052 0.931658 0.943555 Bi\n0.135988 0.740307 0.546969 Bi\n0.637019 0.933021 0.190124 Bi\n0.994864 0.264620 0.183526 Bi\n0.054695 0.284172 0.940666 Bi\n0.904534 0.435487 0.315754 Bi\n0.529677 0.927958 0.437078 Bi\n0.619734 0.588781 0.184246 Bi\n0.095466 0.564513 0.684246 Bi\n0.362981 0.066979 0.809876 Bi\n0.156493 0.885970 0.440666 Bi\n0.700161 0.391003 0.822166 Bi\n0.160156 0.090032 0.560481 Bi\n0.693338 0.589020 0.953031 Bi\n0.990880 0.092598 0.062922 Bi\n0.166532 0.417344 0.560809 Bi\n0.408805 0.879027 0.679069 Bi\n0.975595 0.588670 0.185972 Bi\n0.418906 0.188662 0.683526 Bi\n0.902698 0.789623 0.314028 Bi\n0.306662 0.410980 0.046969 Bi\n0.009120 0.907402 0.937078 Bi\n0.945305 0.715828 0.059334 Bi\n0.788542 0.887161 0.342846 O\n0.220220 0.472417 0.983855 O\n0.806715 0.244924 0.338442 O\n0.669635 0.201403 0.634393 O\n0.406438 0.637463 0.829709 O\n0.623671 0.596658 0.098866 O\n0.290816 0.196327 0.088140 O\n0.969964 0.650562 0.701214 O\n0.002209 0.475195 0.598866 O\n0.044315 0.445696 0.157154 O\n0.358267 0.019021 0.726693 O\n0.096387 0.777423 0.310591 O\n0.879087 0.181270 0.093606 O\n0.230275 0.734728 0.471156 O\n0.125196 0.463973 0.892368 O\n0.792329 0.631574 0.773307 O\n0.271306 0.925529 0.099832 O\n0.307754 0.576729 0.670291 O\n0.441764 0.576910 0.538675 O\n0.900416 0.959327 0.535102 O\n0.805068 0.341438 0.226242 O\n0.175424 0.957612 0.005051 O\n0.608187 0.202676 0.411860 O\n0.343475 0.900560 0.273207 O\n0.872648 0.929733 0.773207 O\n0.406481 0.468273 0.161558 O\n0.550652 0.731250 0.201214 O\n0.527000 0.373094 0.983321 O\n0.211458 0.112839 0.657154 O\n0.071605 0.232828 0.607632 O\n0.154599 0.071939 0.771352 O\n0.822483 0.747835 0.664252 O\n0.470938 0.477032 0.633927 O\n0.449348 0.268750 0.798786 O\n0.674304 0.828527 0.599832 O\n0.452561 0.170373 0.494949 O\n0.461764 0.096911 0.038675 O\n0.751881 0.049256 0.469893 O\n0.769725 0.265272 0.528844 O\n0.011438 0.763635 0.483855 O\n0.932989 0.964758 0.134393 O\n0.473000 0.626906 0.016679 O\n0.741455 0.706013 0.469685 O\n0.120913 0.818730 0.906394 O\n0.924225 0.365313 0.964898 O\n0.384804 0.421174 0.726242 O\n0.272037 0.524540 0.405232 O\n0.709184 0.803673 0.911860 O\n0.120591 0.244173 0.133780 O\n0.558236 0.423090 0.461325 O\n0.529062 0.522968 0.366073 O\n0.030036 0.349438 0.298786 O\n0.193285 0.755076 0.661558 O\n0.736328 0.271770 0.030315 O\n0.800587 0.383246 0.728648 O\n0.325696 0.171473 0.400168 O\n0.692246 0.423271 0.329709 O\n0.966832 0.785795 0.189409 O\n0.610393 0.986812 0.366220 O\n0.177517 0.252165 0.335748 O\n0.530675 0.134353 0.218326 O\n0.259835 0.562489 0.093980 O\n0.836974 0.288286 0.835235 O\n0.824576 0.042388 0.994949 O\n0.928395 0.767172 0.392368 O\n0.236428 0.240881 0.971156 O\n0.889773 0.543679 0.516679 O\n0.033168 0.214205 0.810591 O\n0.127352 0.070267 0.226793 O\n0.593562 0.362537 0.170291 O\n0.740165 0.437511 0.906020 O\n0.389607 0.013188 0.633780 O\n0.656895 0.162988 0.133927 O\n0.656525 0.099440 0.726793 O\n0.248119 0.950744 0.530107 O\n0.110227 0.456321 0.483321 O\n0.641733 0.980979 0.273307 O\n0.583583 0.158231 0.835748 O\n0.874804 0.536027 0.107632 O\n0.079363 0.281988 0.030107 O\n0.376329 0.403342 0.901134 O\n0.469325 0.865647 0.781674 O\n0.593519 0.531727 0.838442 O\n0.615196 0.578826 0.273758 O\n0.779780 0.527583 0.016145 O\n0.547439 0.829627 0.505051 O\n0.587664 0.785481 0.406394 O\n0.763572 0.759119 0.028844 O\n0.728694 0.074471 0.900168 O\n0.263672 0.728230 0.969685 O\n0.416417 0.841769 0.164252 O\n0.920637 0.718012 0.969893 O\n0.380692 0.133195 0.905232 O\n0.046949 0.998261 0.335235 O\n0.258545 0.293987 0.530315 O\n0.845401 0.928061 0.228648 O\n0.163026 0.711714 0.164765 O\n0.583974 0.687651 0.718326 O\n0.968509 0.165855 0.406020 O\n0.953051 0.001739 0.664765 O\n0.619308 0.866805 0.094768 O\n0.727963 0.475460 0.594768 O\n0.412336 0.214519 0.593606 O\n0.391813 0.797324 0.588140 O\n0.955685 0.554304 0.842846 O\n0.031491 0.834145 0.593980 O\n0.416026 0.312349 0.281674 O\n0.988562 0.236365 0.516145 O\n0.199413 0.616754 0.271352 O\n0.207671 0.368426 0.226693 O\n0.067011 0.035242 0.865607 O\n0.879409 0.755827 0.866220 O\n0.538236 0.903089 0.961325 O\n0.330365 0.798597 0.365607 O\n0.997791 0.524805 0.401134 O\n0.903613 0.222577 0.689409 O\n0.194932 0.658562 0.773758 O\n0.343105 0.837012 0.866073 O\n0.075775 0.634687 0.035102 O\n0.099584 0.040673 0.464898 O\n",
            "nsites": 192,
            "nelements": 3,
            "elements": [
                "V",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O-V",
            "density": 7.740101222431278,
            "density_atomic": 0.061986185341912234,
            "volume": 3097.4643614692377,
            "volume_molar": 9.715294991589202,
            "formula_full": "V16 Bi56 O120",
            "formula_reduced": "V2Bi7O15",
            "formula_anonymous": "A2B7C15",
            "energy": -1314.58832941,
            "energy_per_atom": -6.846814215677083,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1204.94832941,
            "band_gap": 1.2288999999999994,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.9891532,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:39.801000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1198619",
            "created_at": "2022-09-04T14:39:43.092085Z",
            "structure_string": "V16 Ag16 I32 O128\n1.0\n0.000000 10.902387 0.000000\n0.000000 0.000000 14.153317\n18.428205 0.000000 0.000000\nV Ag I O\n16 16 32 128\ndirect\n0.731880 0.758730 0.391429 V\n0.768120 0.758730 0.108571 V\n0.268120 0.741270 0.891429 V\n0.231880 0.741270 0.608571 V\n0.268120 0.241270 0.608571 V\n0.231880 0.241270 0.891429 V\n0.731880 0.258730 0.108571 V\n0.768120 0.258730 0.391429 V\n0.736255 0.002546 0.389554 V\n0.763745 0.002546 0.110446 V\n0.263746 0.497454 0.889554 V\n0.236255 0.497454 0.610446 V\n0.263746 0.997454 0.610446 V\n0.236255 0.997454 0.889554 V\n0.736255 0.502546 0.110446 V\n0.763745 0.502546 0.389554 V\n0.254337 0.512290 0.366388 Ag\n0.245663 0.512290 0.133612 Ag\n0.745663 0.987710 0.866388 Ag\n0.754337 0.987710 0.633612 Ag\n0.745663 0.487710 0.633612 Ag\n0.754337 0.487710 0.866388 Ag\n0.254337 0.012290 0.133612 Ag\n0.245663 0.012290 0.366388 Ag\n0.263036 0.742290 0.359914 Ag\n0.236964 0.742290 0.140086 Ag\n0.736964 0.757710 0.859914 Ag\n0.763036 0.757710 0.640086 Ag\n0.736964 0.257710 0.640086 Ag\n0.763036 0.257710 0.859914 Ag\n0.263036 0.242290 0.140086 Ag\n0.236964 0.242290 0.359914 Ag\n0.012153 0.623609 0.287032 I\n0.487847 0.623609 0.212968 I\n0.987847 0.876391 0.787032 I\n0.512153 0.876391 0.712968 I\n0.987847 0.376391 0.712968 I\n0.512153 0.376391 0.787032 I\n0.012153 0.123609 0.212968 I\n0.487847 0.123609 0.287032 I\n0.499143 0.623243 0.487069 I\n0.000857 0.623243 0.012931 I\n0.500857 0.876757 0.987069 I\n-0.000857 0.876757 0.512931 I\n0.500857 0.376757 0.512931 I\n-0.000857 0.376757 0.987069 I\n0.499143 0.123243 0.012931 I\n0.000857 0.123243 0.487069 I\n0.980602 0.877508 0.294742 I\n0.519398 0.877508 0.205258 I\n0.019398 0.622492 0.794742 I\n0.480602 0.622492 0.705258 I\n0.019398 0.122492 0.705258 I\n0.480602 0.122492 0.794742 I\n0.980602 0.377508 0.205258 I\n0.519398 0.377508 0.294742 I\n0.542119 0.125351 0.516550 I\n0.957881 0.125351 0.983450 I\n0.457881 0.374649 0.016550 I\n0.042119 0.374649 0.483450 I\n0.457881 0.874649 0.483450 I\n0.042119 0.874649 0.016550 I\n0.542119 0.625351 0.983450 I\n0.957881 0.625351 0.516550 I\n0.076258 0.621665 0.379687 O\n0.423742 0.621665 0.120313 O\n0.923742 0.878335 0.879687 O\n0.576258 0.878335 0.620313 O\n0.923742 0.378335 0.620313 O\n0.576258 0.378335 0.879687 O\n0.076258 0.121665 0.120313 O\n0.423742 0.121665 0.379687 O\n0.105993 0.726465 0.256420 O\n0.394007 0.726465 0.243580 O\n0.894007 0.773535 0.756420 O\n0.605993 0.773535 0.743580 O\n0.894007 0.273535 0.743580 O\n0.605993 0.273535 0.756420 O\n0.105993 0.226465 0.243580 O\n0.394007 0.226465 0.256420 O\n0.105658 0.525368 0.250654 O\n0.394342 0.525368 0.249346 O\n0.894342 0.974632 0.750654 O\n0.605658 0.974632 0.749346 O\n0.894342 0.474632 0.749346 O\n0.605658 0.474632 0.750654 O\n0.105658 0.025368 0.249346 O\n0.394342 0.025368 0.250654 O\n0.420351 0.621274 0.400074 O\n0.079649 0.621274 0.099926 O\n0.579649 0.878726 0.900074 O\n0.920351 0.878726 0.599926 O\n0.579649 0.378726 0.599926 O\n0.920351 0.378726 0.900074 O\n0.420351 0.121274 0.099926 O\n0.079649 0.121274 0.400074 O\n0.614376 0.527009 0.475633 O\n0.885624 0.527009 0.024367 O\n0.385624 0.972991 0.975633 O\n0.114376 0.972991 0.524367 O\n0.385624 0.472991 0.524367 O\n0.114376 0.472991 0.975633 O\n0.614376 0.027009 0.024367 O\n0.885624 0.027009 0.475633 O\n0.607185 0.727159 0.468181 O\n0.892815 0.727159 0.031819 O\n0.392815 0.772841 0.968181 O\n0.107185 0.772841 0.531819 O\n0.392815 0.272841 0.531819 O\n0.107185 0.272841 0.968181 O\n0.607185 0.227159 0.031819 O\n0.892815 0.227159 0.468181 O\n0.889896 0.776319 0.334990 O\n0.610104 0.776319 0.165010 O\n0.110104 0.723681 0.834990 O\n0.389896 0.723681 0.665010 O\n0.110104 0.223681 0.665010 O\n0.389896 0.223681 0.834990 O\n0.889896 0.276319 0.165010 O\n0.610104 0.276319 0.334990 O\n0.876832 0.974817 0.326081 O\n0.623168 0.974817 0.173919 O\n0.123168 0.525183 0.826081 O\n0.376832 0.525183 0.673919 O\n0.123168 0.025183 0.673919 O\n0.376832 0.025183 0.826081 O\n0.876832 0.474817 0.173919 O\n0.623168 0.474817 0.326081 O\n0.097708 0.881704 0.365636 O\n0.402292 0.881704 0.134364 O\n0.902292 0.618296 0.865636 O\n0.597708 0.618296 0.634364 O\n0.902292 0.118296 0.634364 O\n0.597708 0.118296 0.865636 O\n0.097708 0.381704 0.134364 O\n0.402292 0.381704 0.365636 O\n0.634827 0.226346 0.485248 O\n0.865173 0.226346 0.014752 O\n0.365173 0.273654 0.985248 O\n0.134827 0.273654 0.514752 O\n0.365173 0.773654 0.514752 O\n0.134827 0.773654 0.985248 O\n0.634827 0.726346 0.014752 O\n0.865173 0.726346 0.485248 O\n0.608017 0.119961 0.607496 O\n0.891983 0.119961 0.892504 O\n0.391983 0.380039 0.107496 O\n0.108017 0.380039 0.392504 O\n0.391983 0.880038 0.392504 O\n0.108017 0.880038 0.107496 O\n0.608017 0.619962 0.892504 O\n0.891983 0.619962 0.607496 O\n0.629313 0.020830 0.478218 O\n0.870687 0.020830 0.021782 O\n0.370687 0.479170 0.978218 O\n0.129313 0.479170 0.521782 O\n0.370687 0.979170 0.521782 O\n0.129313 0.979170 0.978218 O\n0.629313 0.520830 0.021782 O\n0.870687 0.520830 0.478218 O\n0.624208 0.979735 0.331402 O\n0.875792 0.979735 0.168598 O\n0.375792 0.520265 0.831402 O\n0.124208 0.520265 0.668598 O\n0.375792 0.020265 0.668598 O\n0.124208 0.020265 0.831402 O\n0.624208 0.479735 0.168598 O\n0.875792 0.479735 0.331402 O\n0.744881 0.126694 0.376322 O\n0.755119 0.126694 0.123678 O\n0.255119 0.373306 0.876322 O\n0.244881 0.373306 0.623678 O\n0.255119 0.873306 0.623678 O\n0.244881 0.873306 0.876322 O\n0.744881 0.626694 0.123678 O\n0.755119 0.626694 0.376322 O\n0.750091 0.875818 0.428749 O\n0.749909 0.875818 0.071251 O\n0.249909 0.624182 0.928749 O\n0.250091 0.624182 0.571251 O\n0.249909 0.124182 0.571251 O\n0.250091 0.124182 0.928749 O\n0.750091 0.375818 0.071251 O\n0.749909 0.375818 0.428749 O\n0.637421 0.777449 0.324043 O\n0.862579 0.777449 0.175957 O\n0.362579 0.722551 0.824043 O\n0.137421 0.722551 0.675957 O\n0.362579 0.222551 0.675957 O\n0.137421 0.222551 0.824043 O\n0.637421 0.277449 0.175957 O\n0.862579 0.277449 0.324043 O\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "V",
                "Ag",
                "I",
                "O"
            ],
            "chemical_system": "Ag-I-O-V",
            "density": 5.05118618817921,
            "density_atomic": 0.0675209223071948,
            "volume": 2843.563053337338,
            "volume_molar": 8.918925503715018,
            "formula_full": "V16 Ag16 I32 O128",
            "formula_reduced": "VAg(IO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -1098.05427105,
            "energy_per_atom": -5.7190326617187495,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -982.91827105,
            "band_gap": 1.4028999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0048938,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:35.113000Z",
            "spacegroup": 56
        },
        {
            "id": "mp-1205256",
            "created_at": "2022-09-04T14:45:59.795194Z",
            "structure_string": "Na16 Nd8 N40 O128\n1.0\n0.000000 0.000000 8.068237\n15.198640 0.067960 0.000000\n-0.180297 21.406107 0.000000\nNa Nd N O\n16 8 40 128\ndirect\n0.330080 0.658724 0.127239 Na\n0.330080 0.841276 0.872761 Na\n0.669920 0.341276 0.872761 Na\n0.669920 0.158724 0.127239 Na\n0.186556 0.539395 0.369792 Na\n0.186556 0.960605 0.630208 Na\n0.813444 0.460605 0.630208 Na\n0.813444 0.039395 0.369792 Na\n0.325630 0.881762 0.392153 Na\n0.325630 0.618238 0.607847 Na\n0.674370 0.118238 0.607847 Na\n0.674370 0.381762 0.392153 Na\n0.234093 0.966154 0.118815 Na\n0.234093 0.533846 0.881185 Na\n0.765907 0.033846 0.881185 Na\n0.765907 0.466154 0.118815 Na\n0.823173 0.750000 0.000000 Nd\n0.176827 0.250000 0.000000 Nd\n0.851074 0.750000 0.500000 Nd\n0.148926 0.250000 0.500000 Nd\n0.830009 0.754286 0.249026 Nd\n0.830009 0.745714 0.750974 Nd\n0.169991 0.245714 0.750974 Nd\n0.169991 0.254286 0.249026 Nd\n0.510045 0.814681 0.180692 N\n0.510045 0.685319 0.819308 N\n0.489955 0.185319 0.819308 N\n0.489955 0.314681 0.180692 N\n0.155274 0.709137 0.422853 N\n0.155274 0.790863 0.577147 N\n0.844726 0.290863 0.577147 N\n0.844726 0.209137 0.422853 N\n0.520269 0.871251 0.004304 N\n0.520269 0.628749 0.995696 N\n0.479731 0.128749 0.995696 N\n0.479731 0.371251 0.004304 N\n0.016386 0.609180 0.070618 N\n0.016386 0.890820 0.929382 N\n0.983614 0.390820 0.929382 N\n0.983614 0.109180 0.070618 N\n0.705291 0.565886 0.246959 N\n0.705291 0.934114 0.753041 N\n0.294709 0.434114 0.753041 N\n0.294709 0.065886 0.246959 N\n0.141333 0.642899 0.249334 N\n0.141333 0.857101 0.750666 N\n0.858667 0.357101 0.750666 N\n0.858667 0.142899 0.249334 N\n0.016689 0.601678 0.679553 N\n0.016689 0.898322 0.320447 N\n0.983311 0.398322 0.320447 N\n0.983311 0.101678 0.679553 N\n0.649302 0.782942 0.378688 N\n0.649302 0.717058 0.621312 N\n0.350698 0.217058 0.621312 N\n0.350698 0.282942 0.378688 N\n0.742656 0.945277 0.503907 N\n0.742656 0.554723 0.496093 N\n0.257344 0.054723 0.496093 N\n0.257344 0.445277 0.503907 N\n0.950528 0.836470 0.124595 N\n0.950528 0.663530 0.875405 N\n0.049472 0.163530 0.875405 N\n0.049472 0.336470 0.124595 N\n0.503170 0.006961 0.369072 O\n0.503170 0.493039 0.630928 O\n0.496830 0.993039 0.630928 O\n0.496830 0.506961 0.369072 O\n0.522289 0.011669 0.128825 O\n0.522289 0.488331 0.871175 O\n0.477711 0.988331 0.871175 O\n0.477711 0.511669 0.128825 O\n0.610038 0.874677 0.197957 O\n0.610038 0.625323 0.802043 O\n0.389962 0.125323 0.802043 O\n0.389962 0.374677 0.197957 O\n0.549476 0.734938 0.195067 O\n0.549476 0.765062 0.804933 O\n0.450524 0.265062 0.804933 O\n0.450524 0.234938 0.195067 O\n0.380639 0.828807 0.150942 O\n0.380639 0.671193 0.849058 O\n0.619361 0.171193 0.849058 O\n0.619361 0.328807 0.150942 O\n0.048979 0.650150 0.436977 O\n0.048979 0.849850 0.563023 O\n0.951021 0.349850 0.563023 O\n0.951021 0.150150 0.436977 O\n0.282602 0.691393 0.393051 O\n0.282602 0.808607 0.606949 O\n0.717398 0.308607 0.606949 O\n0.717398 0.191393 0.393051 O\n0.122860 0.788212 0.440883 O\n0.122860 0.711788 0.559117 O\n0.877140 0.211788 0.559117 O\n0.877140 0.288212 0.440883 O\n0.548684 0.823135 0.955431 O\n0.548684 0.676865 0.044569 O\n0.451316 0.176865 0.044569 O\n0.451316 0.323135 0.955431 O\n0.630232 0.868349 0.047225 O\n0.630232 0.631651 0.952775 O\n0.369768 0.131651 0.952775 O\n0.369768 0.368349 0.047225 O\n0.393563 0.916545 0.008544 O\n0.393563 0.583455 0.991456 O\n0.606437 0.083455 0.991456 O\n0.606437 0.416545 0.008544 O\n0.865630 0.597475 0.053280 O\n0.865630 0.902525 0.946720 O\n0.134370 0.402525 0.946720 O\n0.134370 0.097475 0.053280 O\n0.090685 0.554159 0.102659 O\n0.090685 0.945841 0.897341 O\n0.909315 0.445841 0.897341 O\n0.909315 0.054159 0.102659 O\n0.085551 0.681502 0.054044 O\n0.085551 0.818498 0.945956 O\n0.914449 0.318498 0.945956 O\n0.914449 0.181502 0.054044 O\n0.785349 0.599683 0.200535 O\n0.785349 0.900317 0.799465 O\n0.214651 0.400317 0.799465 O\n0.214651 0.099683 0.200535 O\n0.675930 0.617027 0.293154 O\n0.675930 0.882973 0.706846 O\n0.324070 0.382973 0.706846 O\n0.324070 0.117027 0.293154 O\n0.339007 0.987993 0.245825 O\n0.339007 0.512007 0.754175 O\n0.660993 0.012007 0.754175 O\n0.660993 0.487993 0.245825 O\n0.036355 0.640702 0.294504 O\n0.036355 0.859298 0.705496 O\n0.963645 0.359298 0.705496 O\n0.963645 0.140702 0.294504 O\n0.267430 0.596858 0.249109 O\n0.267430 0.903142 0.750891 O\n0.732570 0.403142 0.750891 O\n0.732570 0.096858 0.249109 O\n0.107089 0.695535 0.204321 O\n0.107089 0.804465 0.795679 O\n0.892911 0.304465 0.795679 O\n0.892911 0.195535 0.204321 O\n0.864955 0.593153 0.696801 O\n0.864955 0.906847 0.303199 O\n0.135045 0.406847 0.303199 O\n0.135045 0.093153 0.696801 O\n0.084362 0.543703 0.646910 O\n0.084362 0.956297 0.353090 O\n0.915638 0.456297 0.353090 O\n0.915638 0.043703 0.646910 O\n0.092824 0.671089 0.696148 O\n0.092824 0.828911 0.303852 O\n0.907176 0.328911 0.303852 O\n0.907176 0.171089 0.696148 O\n0.798113 0.753383 0.376017 O\n0.798113 0.746617 0.623983 O\n0.201887 0.246617 0.623983 O\n0.201887 0.253383 0.376017 O\n0.583912 0.794491 0.431718 O\n0.583912 0.705509 0.568282 O\n0.416088 0.205509 0.568282 O\n0.416088 0.294491 0.431718 O\n0.574717 0.801017 0.328894 O\n0.574717 0.698983 0.671106 O\n0.425283 0.198983 0.671106 O\n0.425283 0.301017 0.328894 O\n0.697318 0.891188 0.545798 O\n0.697318 0.608812 0.454202 O\n0.302682 0.108812 0.454202 O\n0.302682 0.391188 0.545798 O\n0.833867 0.914392 0.459405 O\n0.833867 0.585608 0.540595 O\n0.166133 0.085608 0.540595 O\n0.166133 0.414392 0.459405 O\n0.298571 0.524166 0.504769 O\n0.298571 0.975834 0.495231 O\n0.701429 0.475834 0.495231 O\n0.701429 0.024166 0.504769 O\n0.004895 0.862486 0.072925 O\n0.004895 0.637514 0.927075 O\n0.995105 0.137514 0.927075 O\n0.995105 0.362486 0.072925 O\n0.994768 0.870275 0.175616 O\n0.994768 0.629725 0.824384 O\n0.005232 0.129725 0.824384 O\n0.005232 0.370275 0.175616 O\n0.847135 0.771840 0.125512 O\n0.847135 0.728160 0.874488 O\n0.152865 0.228160 0.874488 O\n0.152865 0.271840 0.125512 O\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "Na",
                "Nd",
                "N",
                "O"
            ],
            "chemical_system": "N-Na-Nd-O",
            "density": 2.612509562394731,
            "density_atomic": 0.07314149039298325,
            "volume": 2625.049051754342,
            "volume_molar": 8.233549422692278,
            "formula_full": "Na16 Nd8 N40 O128",
            "formula_reduced": "Na2NdN5O16",
            "formula_anonymous": "AB2C5D16",
            "energy": -1271.77160409,
            "energy_per_atom": -6.62381043796875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1183.83560409,
            "band_gap": 0.4775999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.0000132,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:19.643000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-24108",
            "created_at": "2022-09-04T14:46:04.069124Z",
            "structure_string": "Rb4 Cr4 H96 S8 O80\n1.0\n12.400272 0.000000 0.000000\n0.000000 12.400272 0.000000\n0.000000 0.000000 12.400272\nRb Cr H S O\n4 4 96 8 80\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.789921 0.474707 0.051514 H\n0.289921 0.025293 0.948485 H\n0.210079 0.974707 0.448486 H\n0.025293 0.948485 0.289921 H\n0.448486 0.210079 0.974707 H\n0.948485 0.289921 0.025293 H\n0.474707 0.051514 0.789921 H\n0.051514 0.789921 0.474707 H\n0.974707 0.448486 0.210079 H\n0.525293 0.551515 0.710079 H\n0.551515 0.710079 0.525293 H\n0.710079 0.525293 0.551515 H\n0.210079 0.525293 0.948485 H\n0.710079 0.974707 0.051514 H\n0.789921 0.025293 0.551515 H\n0.974707 0.051514 0.710079 H\n0.551515 0.789921 0.025293 H\n0.051514 0.710079 0.974707 H\n0.525293 0.948485 0.210079 H\n0.948485 0.210079 0.525293 H\n0.025293 0.551515 0.789921 H\n0.474707 0.448486 0.289921 H\n0.448486 0.289921 0.474707 H\n0.289921 0.474707 0.448486 H\n0.806628 0.463023 0.920434 H\n0.306628 0.036977 0.079566 H\n0.193372 0.963023 0.579566 H\n0.036977 0.079566 0.306628 H\n0.579566 0.193372 0.963023 H\n0.079566 0.306628 0.036977 H\n0.463023 0.920434 0.806628 H\n0.920434 0.806628 0.463023 H\n0.963023 0.579566 0.193372 H\n0.536977 0.420434 0.693372 H\n0.420434 0.693372 0.536977 H\n0.693372 0.536977 0.420434 H\n0.193372 0.536977 0.079566 H\n0.693372 0.963023 0.920434 H\n0.806628 0.036977 0.420434 H\n0.963023 0.920434 0.693372 H\n0.420434 0.806628 0.036977 H\n0.920434 0.693372 0.963023 H\n0.536977 0.079566 0.193372 H\n0.079566 0.193372 0.536977 H\n0.036977 0.420434 0.806628 H\n0.463023 0.579566 0.306628 H\n0.579566 0.306628 0.463023 H\n0.825838 0.214637 0.118804 H\n0.298126 0.219801 0.504176 H\n0.798126 0.280199 0.495824 H\n0.701874 0.719801 0.995824 H\n0.280199 0.495824 0.798126 H\n0.995824 0.701874 0.719801 H\n0.495824 0.798126 0.280199 H\n0.219801 0.504176 0.298126 H\n0.504176 0.298126 0.219801 H\n0.719801 0.995824 0.701874 H\n0.780199 0.004176 0.201874 H\n0.004176 0.201874 0.780199 H\n0.201874 0.780199 0.004176 H\n0.701874 0.780199 0.495824 H\n0.201874 0.719801 0.504176 H\n0.298126 0.280199 0.004176 H\n0.719801 0.504176 0.201874 H\n0.004176 0.298126 0.280199 H\n0.504176 0.201874 0.719801 H\n0.780199 0.495824 0.701874 H\n0.495824 0.701874 0.780199 H\n0.280199 0.004176 0.298126 H\n0.219801 0.995824 0.798126 H\n0.995824 0.798126 0.219801 H\n0.798126 0.219801 0.995824 H\n0.325838 0.214637 0.381196 H\n0.825838 0.285363 0.618804 H\n0.674162 0.714637 0.118804 H\n0.285363 0.618804 0.825838 H\n0.118804 0.674162 0.714637 H\n0.618804 0.825838 0.285363 H\n0.214637 0.381196 0.325838 H\n0.381196 0.325838 0.214637 H\n0.714637 0.118804 0.674162 H\n0.785363 0.881196 0.174162 H\n0.881196 0.174162 0.785363 H\n0.174162 0.785363 0.881196 H\n0.674162 0.785363 0.618804 H\n0.174162 0.714637 0.381196 H\n0.325838 0.285363 0.881196 H\n0.714637 0.381196 0.174162 H\n0.881196 0.325838 0.285363 H\n0.381196 0.174162 0.714637 H\n0.785363 0.618804 0.674162 H\n0.618804 0.674162 0.785363 H\n0.285363 0.881196 0.325838 H\n0.214637 0.118804 0.825838 H\n0.118804 0.825838 0.214637 H\n0.306628 0.463023 0.579566 H\n0.190436 0.309564 0.690436 S\n0.309564 0.690436 0.190436 S\n0.690436 0.190436 0.309564 S\n0.809564 0.809564 0.809564 S\n0.809564 0.690436 0.309564 S\n0.690436 0.309564 0.809564 S\n0.309564 0.809564 0.690436 S\n0.190436 0.190436 0.190436 S\n0.840177 0.491592 0.988143 O\n0.340177 0.008408 0.011857 O\n0.159823 0.991592 0.511857 O\n0.008408 0.011857 0.340177 O\n0.511857 0.159823 0.991592 O\n0.011857 0.340177 0.008408 O\n0.491592 0.988143 0.840177 O\n0.988143 0.840177 0.491592 O\n0.991592 0.511857 0.159823 O\n0.508408 0.488143 0.659823 O\n0.488143 0.659823 0.508408 O\n0.659823 0.508408 0.488143 O\n0.159823 0.508408 0.011857 O\n0.659823 0.991592 0.988143 O\n0.840177 0.008408 0.488143 O\n0.991592 0.988143 0.659823 O\n0.488143 0.840177 0.008408 O\n0.988143 0.659823 0.991592 O\n0.508408 0.011857 0.159823 O\n0.011857 0.159823 0.508408 O\n0.008408 0.488143 0.840177 O\n0.491592 0.511857 0.340177 O\n0.511857 0.340177 0.491592 O\n0.340177 0.491592 0.511857 O\n0.358143 0.203832 0.453482 O\n0.858143 0.296168 0.546518 O\n0.641857 0.703832 0.046518 O\n0.296168 0.546518 0.858143 O\n0.046518 0.641857 0.703832 O\n0.546518 0.858143 0.296168 O\n0.203832 0.453482 0.358143 O\n0.453482 0.358143 0.203832 O\n0.703832 0.046518 0.641857 O\n0.796168 0.953482 0.141857 O\n0.953482 0.141857 0.796168 O\n0.141857 0.796168 0.953482 O\n0.641857 0.796168 0.546518 O\n0.141857 0.703832 0.453482 O\n0.358143 0.296168 0.953482 O\n0.703832 0.453482 0.141857 O\n0.953482 0.358143 0.296168 O\n0.453482 0.141857 0.703832 O\n0.796168 0.546518 0.641857 O\n0.546518 0.641857 0.796168 O\n0.296168 0.953482 0.358143 O\n0.203832 0.046518 0.858143 O\n0.046518 0.858143 0.203832 O\n0.858143 0.203832 0.046518 O\n0.579352 0.186145 0.263665 O\n0.079352 0.313855 0.736335 O\n0.420648 0.686145 0.236335 O\n0.313855 0.736335 0.079352 O\n0.236335 0.420648 0.686145 O\n0.736335 0.079352 0.313855 O\n0.186145 0.263665 0.579352 O\n0.263665 0.579352 0.186145 O\n0.686145 0.236335 0.420648 O\n0.813855 0.763665 0.920648 O\n0.763665 0.920648 0.813855 O\n0.920648 0.813855 0.763665 O\n0.420648 0.813855 0.736335 O\n0.920648 0.686145 0.263665 O\n0.579352 0.313855 0.763665 O\n0.686145 0.263665 0.920648 O\n0.763665 0.579352 0.313855 O\n0.263665 0.920648 0.686145 O\n0.813855 0.736335 0.420648 O\n0.736335 0.420648 0.813855 O\n0.313855 0.763665 0.579352 O\n0.186145 0.236335 0.079352 O\n0.236335 0.079352 0.186145 O\n0.079352 0.186145 0.236335 O\n0.260431 0.260431 0.260431 O\n0.239569 0.760431 0.260431 O\n0.760431 0.260431 0.239569 O\n0.739569 0.739569 0.739569 O\n0.739569 0.760431 0.239569 O\n0.760431 0.239569 0.739569 O\n0.239569 0.739569 0.760431 O\n0.260431 0.239569 0.760431 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Rb",
                "Cr",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Cr-H-O-Rb-S",
            "density": 1.9011967856916328,
            "density_atomic": 0.10069492763941536,
            "volume": 1906.7494709122248,
            "volume_molar": 5.980580056192157,
            "formula_full": "Rb4 Cr4 H96 S8 O80",
            "formula_reduced": "RbCrH24(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1082.89920155,
            "energy_per_atom": -5.640100008072917,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1019.94320155,
            "band_gap": 5.227399999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 11.9982533,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:17.970000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-746702",
            "created_at": "2022-09-04T14:46:28.334379Z",
            "structure_string": "Cs4 Fe4 H96 S8 O80\n1.0\n12.451834 0.000000 0.000000\n0.000000 12.451834 0.000000\n0.000000 0.000000 12.451834\nCs Fe H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.221907 0.509371 0.230186 H\n0.778093 0.009371 0.269814 H\n0.278093 0.490629 0.730186 H\n0.721907 0.990629 0.769814 H\n0.230186 0.221907 0.509371 H\n0.269814 0.778093 0.009371 H\n0.730186 0.278093 0.490629 H\n0.769814 0.721907 0.990629 H\n0.509371 0.230186 0.221907 H\n0.009371 0.269814 0.778093 H\n0.490629 0.730186 0.278093 H\n0.990629 0.769814 0.721907 H\n0.778093 0.490629 0.769814 H\n0.221907 0.990629 0.730186 H\n0.721907 0.509371 0.269814 H\n0.278093 0.009371 0.230186 H\n0.769814 0.778093 0.490629 H\n0.730186 0.221907 0.990629 H\n0.269814 0.721907 0.509371 H\n0.230186 0.278093 0.009371 H\n0.490629 0.769814 0.778093 H\n0.990629 0.730186 0.221907 H\n0.509371 0.269814 0.721907 H\n0.009371 0.230186 0.278093 H\n0.181913 0.628034 0.221035 H\n0.818087 0.128034 0.278965 H\n0.318087 0.371966 0.721035 H\n0.681913 0.871966 0.778965 H\n0.221035 0.181913 0.628034 H\n0.278965 0.818087 0.128034 H\n0.721035 0.318087 0.371966 H\n0.778965 0.681913 0.871966 H\n0.628034 0.221035 0.181913 H\n0.128034 0.278965 0.818087 H\n0.371966 0.721035 0.318087 H\n0.871966 0.778965 0.681913 H\n0.818087 0.371966 0.778965 H\n0.181913 0.871966 0.721035 H\n0.681913 0.628034 0.278965 H\n0.318087 0.128034 0.221035 H\n0.778965 0.818087 0.371966 H\n0.721035 0.181913 0.871966 H\n0.278965 0.681913 0.628034 H\n0.221035 0.318087 0.128034 H\n0.371966 0.778965 0.818087 H\n0.871966 0.721035 0.181913 H\n0.628034 0.278965 0.681913 H\n0.128034 0.221035 0.318087 H\n0.477505 0.710532 0.934980 H\n0.522495 0.210532 0.565020 H\n0.022495 0.289468 0.434980 H\n0.977505 0.789468 0.065020 H\n0.934980 0.477505 0.710532 H\n0.565020 0.522495 0.210532 H\n0.434980 0.022495 0.289468 H\n0.065020 0.977505 0.789468 H\n0.710532 0.934980 0.477505 H\n0.210532 0.565020 0.522495 H\n0.289468 0.434980 0.022495 H\n0.789468 0.065020 0.977505 H\n0.522495 0.289468 0.065020 H\n0.477505 0.789468 0.434980 H\n0.977505 0.710532 0.565020 H\n0.022495 0.210532 0.934980 H\n0.065020 0.522495 0.289468 H\n0.434980 0.477505 0.789468 H\n0.565020 0.977505 0.710532 H\n0.934980 0.022495 0.210532 H\n0.289468 0.065020 0.522495 H\n0.789468 0.434980 0.477505 H\n0.710532 0.565020 0.977505 H\n0.210532 0.934980 0.022495 H\n0.522928 0.706270 0.060689 H\n0.477072 0.206270 0.439311 H\n0.977072 0.293730 0.560689 H\n0.022928 0.793730 0.939311 H\n0.060689 0.522928 0.706270 H\n0.439311 0.477072 0.206270 H\n0.560689 0.977072 0.293730 H\n0.939311 0.022928 0.793730 H\n0.706270 0.060689 0.522928 H\n0.206270 0.439311 0.477072 H\n0.293730 0.560689 0.977072 H\n0.793730 0.939311 0.022928 H\n0.477072 0.293730 0.939311 H\n0.522928 0.793730 0.560689 H\n0.022928 0.706270 0.439311 H\n0.977072 0.206270 0.060689 H\n0.939311 0.477072 0.293730 H\n0.560689 0.522928 0.793730 H\n0.439311 0.022928 0.706270 H\n0.060689 0.977072 0.206270 H\n0.293730 0.939311 0.477072 H\n0.793730 0.560689 0.522928 H\n0.706270 0.439311 0.022928 H\n0.206270 0.060689 0.977072 H\n0.172121 0.827879 0.327879 S\n0.827879 0.327879 0.172121 S\n0.327879 0.172121 0.827879 S\n0.672121 0.672121 0.672121 S\n0.827879 0.172121 0.672121 S\n0.172121 0.672121 0.827879 S\n0.672121 0.827879 0.172121 S\n0.327879 0.327879 0.327879 S\n0.241750 0.758250 0.258250 O\n0.758250 0.258250 0.241750 O\n0.258250 0.241750 0.758250 O\n0.741750 0.741750 0.741750 O\n0.758250 0.241750 0.741750 O\n0.241750 0.741750 0.758250 O\n0.741750 0.758250 0.241750 O\n0.258250 0.258250 0.258250 O\n0.062108 0.780611 0.335360 O\n0.937892 0.280611 0.164640 O\n0.437892 0.219389 0.835360 O\n0.562108 0.719389 0.664640 O\n0.335360 0.062108 0.780611 O\n0.164640 0.937892 0.280611 O\n0.835360 0.437892 0.219389 O\n0.664640 0.562108 0.719389 O\n0.780611 0.335360 0.062108 O\n0.280611 0.164640 0.937892 O\n0.219389 0.835360 0.437892 O\n0.719389 0.664640 0.562108 O\n0.937892 0.219389 0.664640 O\n0.062108 0.719389 0.835360 O\n0.562108 0.780611 0.164640 O\n0.437892 0.280611 0.335360 O\n0.664640 0.937892 0.219389 O\n0.835360 0.062108 0.719389 O\n0.164640 0.562108 0.780611 O\n0.335360 0.437892 0.280611 O\n0.219389 0.664640 0.937892 O\n0.719389 0.835360 0.062108 O\n0.780611 0.164640 0.562108 O\n0.280611 0.335360 0.437892 O\n0.158504 0.553069 0.209226 O\n0.841496 0.053069 0.290774 O\n0.341496 0.446931 0.709226 O\n0.658504 0.946931 0.790774 O\n0.209226 0.158504 0.553069 O\n0.290774 0.841496 0.053069 O\n0.709226 0.341496 0.446931 O\n0.790774 0.658504 0.946931 O\n0.553069 0.209226 0.158504 O\n0.053069 0.290774 0.841496 O\n0.446931 0.709226 0.341496 O\n0.946931 0.790774 0.658504 O\n0.841496 0.446931 0.790774 O\n0.158504 0.946931 0.709226 O\n0.658504 0.553069 0.290774 O\n0.341496 0.053069 0.209226 O\n0.790774 0.841496 0.446931 O\n0.709226 0.158504 0.946931 O\n0.290774 0.658504 0.553069 O\n0.209226 0.341496 0.053069 O\n0.446931 0.790774 0.841496 O\n0.946931 0.709226 0.158504 O\n0.553069 0.290774 0.658504 O\n0.053069 0.209226 0.341496 O\n0.500180 0.662213 0.997438 O\n0.499820 0.162213 0.502562 O\n0.999820 0.337787 0.497438 O\n0.000180 0.837787 0.002562 O\n0.997438 0.500180 0.662213 O\n0.502562 0.499820 0.162213 O\n0.497438 0.999820 0.337787 O\n0.002562 0.000180 0.837787 O\n0.662213 0.997438 0.500180 O\n0.162213 0.502562 0.499820 O\n0.337787 0.497438 0.999820 O\n0.837787 0.002562 0.000180 O\n0.499820 0.337787 0.002562 O\n0.500180 0.837787 0.497438 O\n0.000180 0.662213 0.502562 O\n0.999820 0.162213 0.997438 O\n0.002562 0.499820 0.337787 O\n0.497438 0.500180 0.837787 O\n0.502562 0.000180 0.662213 O\n0.997438 0.999820 0.162213 O\n0.337787 0.002562 0.499820 O\n0.837787 0.497438 0.500180 O\n0.662213 0.502562 0.000180 O\n0.162213 0.997438 0.999820 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "Fe",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Cs-Fe-H-O-S",
            "density": 2.054122689487505,
            "density_atomic": 0.09944919264965602,
            "volume": 1930.6340743899855,
            "volume_molar": 6.055494870848335,
            "formula_full": "Cs4 Fe4 H96 S8 O80",
            "formula_reduced": "CsFeH24(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1071.00496854,
            "energy_per_atom": -5.5781508778125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1007.02096854,
            "band_gap": 5.6396,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 19.9976874,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:38.810000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-600054",
            "created_at": "2022-09-04T14:46:24.354530Z",
            "structure_string": "Si64 O128\n1.0\n12.729156 0.000000 0.000000\n0.000000 12.729156 0.000000\n0.000000 0.000000 26.407933\nSi O\n64 128\ndirect\n0.953193 0.796337 0.055269 Si\n0.203663 0.953193 0.305269 Si\n0.796337 0.046807 0.805269 Si\n0.953193 0.203663 0.444731 Si\n0.046807 0.796337 0.944731 Si\n0.046807 0.203663 0.555269 Si\n0.796337 0.953193 0.694731 Si\n0.203663 0.046807 0.194731 Si\n0.953950 0.542497 0.055427 Si\n0.457503 0.953950 0.305427 Si\n0.542497 0.046050 0.805427 Si\n0.953950 0.457503 0.444573 Si\n0.046050 0.542497 0.944573 Si\n0.046050 0.457503 0.555427 Si\n0.542497 0.953950 0.694573 Si\n0.457503 0.046050 0.194573 Si\n0.714414 0.792317 0.058470 Si\n0.207683 0.714414 0.308470 Si\n0.792317 0.285586 0.808470 Si\n0.714414 0.207683 0.441530 Si\n0.285586 0.792317 0.941530 Si\n0.285586 0.207683 0.558470 Si\n0.792317 0.714414 0.691530 Si\n0.207683 0.285586 0.191530 Si\n0.715231 0.544685 0.059196 Si\n0.455315 0.715231 0.309196 Si\n0.544685 0.284769 0.809196 Si\n0.715231 0.455315 0.440804 Si\n0.284769 0.544685 0.940804 Si\n0.284769 0.455315 0.559196 Si\n0.544685 0.715231 0.690804 Si\n0.455315 0.284769 0.190804 Si\n0.332076 0.789071 0.058992 Si\n0.210929 0.332076 0.308992 Si\n0.789071 0.667924 0.808992 Si\n0.332076 0.210929 0.441008 Si\n0.667924 0.789071 0.941008 Si\n0.667924 0.210929 0.558992 Si\n0.789071 0.332076 0.691008 Si\n0.210929 0.667924 0.191008 Si\n0.333045 0.540329 0.058147 Si\n0.459671 0.333045 0.308147 Si\n0.540329 0.666955 0.808147 Si\n0.333045 0.459671 0.441853 Si\n0.666955 0.540329 0.941853 Si\n0.666955 0.459671 0.558147 Si\n0.540329 0.333045 0.691853 Si\n0.459671 0.666955 0.191853 Si\n0.527222 0.859650 0.125487 Si\n0.140350 0.527222 0.375487 Si\n0.859650 0.472778 0.875487 Si\n0.527222 0.140350 0.374513 Si\n0.472778 0.859650 0.874513 Si\n0.472778 0.140350 0.625487 Si\n0.859650 0.527222 0.624513 Si\n0.140350 0.472778 0.124513 Si\n0.527408 0.472592 0.125000 Si\n0.527408 0.527408 0.375000 Si\n0.472592 0.472592 0.875000 Si\n0.472592 0.527408 0.625000 Si\n0.138909 0.861091 0.125000 Si\n0.138909 0.138909 0.375000 Si\n0.861091 0.861091 0.875000 Si\n0.861091 0.138909 0.625000 Si\n0.833221 0.839591 0.059727 O\n0.160409 0.833221 0.309727 O\n0.839591 0.166779 0.809727 O\n0.833221 0.160409 0.440273 O\n0.166779 0.839591 0.940273 O\n0.166779 0.160409 0.559727 O\n0.839591 0.833221 0.690273 O\n0.160409 0.166779 0.190273 O\n0.000000 0.827248 0.000000 O\n0.172752 0.000000 0.250000 O\n0.827248 0.000000 0.750000 O\n0.000000 0.172752 0.500000 O\n0.023669 0.850710 0.099292 O\n0.149290 0.023669 0.349292 O\n0.850710 0.976331 0.849292 O\n0.023669 0.149290 0.400708 O\n0.976331 0.850710 0.900708 O\n0.976331 0.149290 0.599292 O\n0.850710 0.023669 0.650708 O\n0.149290 0.976331 0.150708 O\n0.954740 0.669440 0.062241 O\n0.330560 0.954740 0.312241 O\n0.669440 0.045260 0.812241 O\n0.954740 0.330560 0.437759 O\n0.045260 0.669440 0.937759 O\n0.045260 0.330560 0.562241 O\n0.669440 0.954740 0.687759 O\n0.330560 0.045260 0.187759 O\n0.834446 0.498457 0.060592 O\n0.501543 0.834446 0.310592 O\n0.498457 0.165554 0.810592 O\n0.834446 0.501543 0.439408 O\n0.165554 0.498457 0.939408 O\n0.165554 0.501543 0.560592 O\n0.498457 0.834446 0.689408 O\n0.501543 0.165554 0.189408 O\n0.000000 0.511705 0.000000 O\n0.488295 0.000000 0.250000 O\n0.511705 0.000000 0.750000 O\n0.000000 0.488295 0.500000 O\n0.025614 0.488611 0.099019 O\n0.511389 0.025614 0.349019 O\n0.488611 0.974386 0.849019 O\n0.025614 0.511389 0.400981 O\n0.974386 0.488611 0.900981 O\n0.974386 0.511389 0.599019 O\n0.488611 0.025614 0.650981 O\n0.511389 0.974386 0.150981 O\n0.642048 0.855757 0.098747 O\n0.144243 0.642048 0.348747 O\n0.855757 0.357952 0.848747 O\n0.642048 0.144243 0.401253 O\n0.357952 0.855757 0.901253 O\n0.357952 0.144243 0.598747 O\n0.855757 0.642048 0.651253 O\n0.144243 0.357952 0.151253 O\n0.717335 0.668744 0.074072 O\n0.331256 0.717335 0.324072 O\n0.668744 0.282665 0.824072 O\n0.717335 0.331256 0.425928 O\n0.282665 0.668744 0.925928 O\n0.282665 0.331256 0.574072 O\n0.668744 0.717335 0.675928 O\n0.331256 0.282665 0.175928 O\n0.664990 0.804190 0.001821 O\n0.195810 0.664990 0.251821 O\n0.804190 0.335010 0.751821 O\n0.664990 0.195810 0.498179 O\n0.335010 0.804190 0.998179 O\n0.335010 0.195810 0.501821 O\n0.804190 0.664990 0.748179 O\n0.195810 0.335010 0.248179 O\n0.643576 0.482830 0.100184 O\n0.517170 0.643576 0.350184 O\n0.482830 0.356424 0.850184 O\n0.643576 0.517170 0.399816 O\n0.356424 0.482830 0.899816 O\n0.356424 0.517170 0.600184 O\n0.482830 0.643576 0.649816 O\n0.517170 0.356424 0.149816 O\n0.665373 0.528964 0.002848 O\n0.471036 0.665373 0.252848 O\n0.528964 0.334627 0.752848 O\n0.665373 0.471036 0.497152 O\n0.334627 0.528964 0.997152 O\n0.334627 0.471036 0.502848 O\n0.528964 0.665373 0.747152 O\n0.471036 0.334627 0.247152 O\n0.436989 0.840631 0.082766 O\n0.159369 0.436989 0.332766 O\n0.840631 0.563011 0.832766 O\n0.436989 0.159369 0.417234 O\n0.563011 0.840631 0.917234 O\n0.563011 0.159369 0.582766 O\n0.840631 0.436989 0.667234 O\n0.159369 0.563011 0.167234 O\n0.327600 0.664514 0.072872 O\n0.335486 0.327600 0.322872 O\n0.664514 0.672400 0.822872 O\n0.327600 0.335486 0.427128 O\n0.672400 0.664514 0.927128 O\n0.672400 0.335486 0.572872 O\n0.664514 0.327600 0.677128 O\n0.335486 0.672400 0.177128 O\n0.228890 0.847105 0.081641 O\n0.152895 0.228890 0.331641 O\n0.847105 0.771110 0.831641 O\n0.228890 0.152895 0.418359 O\n0.771110 0.847105 0.918359 O\n0.771110 0.152895 0.581641 O\n0.847105 0.228890 0.668359 O\n0.152895 0.771110 0.168359 O\n0.438853 0.488330 0.080979 O\n0.511670 0.438853 0.330979 O\n0.488330 0.561147 0.830979 O\n0.438853 0.511670 0.419021 O\n0.561147 0.488330 0.919021 O\n0.561147 0.511670 0.580979 O\n0.488330 0.438853 0.669021 O\n0.511670 0.561147 0.169021 O\n0.230797 0.480602 0.080928 O\n0.519398 0.230797 0.330928 O\n0.480602 0.769203 0.830928 O\n0.230797 0.519398 0.419072 O\n0.769203 0.480602 0.919072 O\n0.769203 0.519398 0.580928 O\n0.480602 0.230797 0.669072 O\n0.519398 0.769203 0.169072 O\n",
            "nsites": 192,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.4923010686095928,
            "density_atomic": 0.04487119144886958,
            "volume": 4278.914684464813,
            "volume_molar": 13.420951317644839,
            "formula_full": "Si64 O128",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -1604.34586957,
            "energy_per_atom": -8.355968070677084,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1516.40986957,
            "band_gap": 5.6447,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 5.65e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:30.154000Z",
            "spacegroup": 91
        },
        {
            "id": "mp-1197507",
            "created_at": "2022-09-04T14:46:38.296763Z",
            "structure_string": "Sr8 Mo32 H32 O120\n1.0\n0.000000 7.634800 -0.000000\n0.000000 0.000000 15.856049\n19.800902 0.000000 0.000000\nSr Mo H O\n8 32 32 120\ndirect\n0.627869 0.617049 0.965411 Sr\n0.872131 0.117049 0.534589 Sr\n0.872131 0.382951 0.465411 Sr\n0.627869 0.882951 0.034589 Sr\n0.372131 0.382951 0.034589 Sr\n0.127869 0.882951 0.465411 Sr\n0.127869 0.617049 0.534589 Sr\n0.372131 0.117049 0.965411 Sr\n0.872153 0.475042 0.114023 Mo\n0.627847 0.975042 0.385977 Mo\n0.627847 0.524958 0.614023 Mo\n0.872153 0.024958 0.885977 Mo\n0.127847 0.524958 0.885977 Mo\n0.372153 0.024958 0.614023 Mo\n0.372153 0.475042 0.385977 Mo\n0.127847 0.975042 0.114023 Mo\n0.969490 0.680918 0.104383 Mo\n0.530510 0.180918 0.395617 Mo\n0.530510 0.319082 0.604383 Mo\n0.969490 0.819082 0.895617 Mo\n0.030510 0.319082 0.895617 Mo\n0.469490 0.819082 0.604383 Mo\n0.469490 0.680918 0.395617 Mo\n0.030510 0.180918 0.104383 Mo\n0.149253 0.611518 0.246263 Mo\n0.350747 0.111518 0.253737 Mo\n0.350747 0.388482 0.746263 Mo\n0.149253 0.888482 0.753737 Mo\n0.850747 0.388482 0.753737 Mo\n0.649253 0.888482 0.746263 Mo\n0.649253 0.611518 0.253737 Mo\n0.850747 0.111518 0.246263 Mo\n0.156090 0.821639 0.255290 Mo\n0.343910 0.321639 0.244710 Mo\n0.343910 0.178361 0.755290 Mo\n0.156090 0.678361 0.744710 Mo\n0.843910 0.178361 0.744710 Mo\n0.656090 0.678361 0.755290 Mo\n0.656090 0.821639 0.244710 Mo\n0.843910 0.321639 0.255290 Mo\n0.537522 0.722163 0.117752 H\n0.962478 0.222163 0.382248 H\n0.962478 0.277837 0.617752 H\n0.537522 0.777837 0.882248 H\n0.462478 0.277837 0.882248 H\n0.037522 0.777837 0.617752 H\n0.037522 0.722163 0.382248 H\n0.462478 0.222163 0.117752 H\n0.365572 0.731216 0.073541 H\n0.134428 0.231216 0.426459 H\n0.134428 0.268784 0.573541 H\n0.365572 0.768784 0.926459 H\n0.634428 0.268784 0.926459 H\n0.865572 0.768784 0.573541 H\n0.865572 0.731216 0.426459 H\n0.634428 0.231216 0.073541 H\n0.951123 0.543424 0.384307 H\n0.548877 0.043424 0.115693 H\n0.548877 0.456576 0.884307 H\n0.951123 0.956576 0.615693 H\n0.048877 0.456576 0.615693 H\n0.451123 0.956576 0.884307 H\n0.451123 0.543424 0.115693 H\n0.048877 0.043424 0.384307 H\n0.807650 0.580682 0.432514 H\n0.692350 0.080682 0.067486 H\n0.692350 0.419318 0.932514 H\n0.807650 0.919318 0.567486 H\n0.192350 0.419318 0.567486 H\n0.307650 0.919318 0.932514 H\n0.307650 0.580682 0.067486 H\n0.192350 0.080682 0.432514 H\n0.670944 0.529879 0.193157 O\n0.829056 0.029879 0.306843 O\n0.829056 0.470121 0.693157 O\n0.670944 0.970121 0.806843 O\n0.329056 0.470121 0.806843 O\n0.170944 0.970121 0.693157 O\n0.170944 0.529879 0.306843 O\n0.329056 0.029879 0.193157 O\n0.027489 0.567909 0.170091 O\n0.472511 0.067909 0.329909 O\n0.472511 0.432091 0.670091 O\n0.027489 0.932091 0.829909 O\n0.972511 0.432091 0.829909 O\n0.527489 0.932091 0.670091 O\n0.527489 0.567909 0.329909 O\n0.972511 0.067909 0.170091 O\n0.816084 0.590575 0.074850 O\n0.683916 0.090575 0.425150 O\n0.683916 0.409425 0.574850 O\n0.816084 0.909425 0.925150 O\n0.183916 0.409425 0.925150 O\n0.316084 0.909425 0.574850 O\n0.316084 0.590575 0.425150 O\n0.183916 0.090575 0.074850 O\n0.049634 0.448419 0.063411 O\n0.450366 0.948419 0.436589 O\n0.450366 0.551581 0.563411 O\n0.049634 0.051581 0.936589 O\n0.950366 0.551581 0.936589 O\n0.549634 0.051581 0.563411 O\n0.549634 0.448419 0.436589 O\n0.950366 0.948419 0.063411 O\n0.917555 0.401916 0.189459 O\n0.582445 0.901916 0.310541 O\n0.582445 0.598084 0.689459 O\n0.917555 0.098084 0.810541 O\n0.082445 0.598084 0.810541 O\n0.417555 0.098084 0.689459 O\n0.417555 0.401916 0.310541 O\n0.082445 0.901916 0.189459 O\n0.693677 0.424184 0.076103 O\n0.806323 0.924184 0.423897 O\n0.806323 0.575816 0.576102 O\n0.693677 0.075816 0.923898 O\n0.306323 0.575816 0.923898 O\n0.193677 0.075816 0.576102 O\n0.193677 0.424184 0.423897 O\n0.306323 0.924184 0.076103 O\n0.062303 0.723212 0.187149 O\n0.437697 0.223212 0.312851 O\n0.437697 0.276788 0.687149 O\n0.062303 0.776788 0.812851 O\n0.937697 0.276788 0.812851 O\n0.562303 0.776788 0.687149 O\n0.562303 0.723212 0.312851 O\n0.937697 0.223212 0.187149 O\n0.855642 0.767074 0.071086 O\n0.644358 0.267074 0.428914 O\n0.644358 0.232926 0.571086 O\n0.855642 0.732926 0.928914 O\n0.144358 0.232926 0.928914 O\n0.355642 0.732926 0.571086 O\n0.355642 0.767074 0.428914 O\n0.144358 0.267074 0.071086 O\n0.157805 0.670821 0.054740 O\n0.342195 0.170821 0.445260 O\n0.342195 0.329179 0.554740 O\n0.157805 0.829179 0.945260 O\n0.842195 0.329179 0.945260 O\n0.657805 0.829179 0.554740 O\n0.657805 0.670821 0.445260 O\n0.842195 0.170821 0.054740 O\n0.364855 0.615703 0.212491 O\n0.135145 0.115703 0.287509 O\n0.135145 0.384297 0.712491 O\n0.364855 0.884297 0.787509 O\n0.635145 0.384297 0.787509 O\n0.864855 0.884297 0.712491 O\n0.864855 0.615703 0.287509 O\n0.635145 0.115703 0.212491 O\n0.170880 0.708623 0.305815 O\n0.329120 0.208623 0.194185 O\n0.329120 0.291377 0.805815 O\n0.170880 0.791377 0.694185 O\n0.829120 0.291377 0.694185 O\n0.670880 0.791377 0.805815 O\n0.670880 0.708623 0.194185 O\n0.829120 0.208623 0.305815 O\n0.375510 0.813713 0.224308 O\n0.124490 0.313713 0.275692 O\n0.124490 0.186287 0.724308 O\n0.375510 0.686287 0.775692 O\n0.624490 0.186287 0.775692 O\n0.875510 0.686287 0.724308 O\n0.875510 0.813713 0.275692 O\n0.624490 0.313713 0.224308 O\n0.176782 0.880627 0.328939 O\n0.323218 0.380627 0.171061 O\n0.323218 0.119373 0.828939 O\n0.176782 0.619373 0.671061 O\n0.823218 0.119373 0.671061 O\n0.676782 0.619373 0.828939 O\n0.676782 0.880627 0.171061 O\n0.823218 0.380627 0.328939 O\n0.493499 0.738437 0.072361 O\n0.006501 0.238437 0.427639 O\n0.006501 0.261563 0.572361 O\n0.493499 0.761563 0.927639 O\n0.506501 0.261563 0.927639 O\n0.993499 0.761563 0.572361 O\n0.993499 0.738437 0.427639 O\n0.506501 0.238437 0.072361 O\n0.908899 0.541982 0.431306 O\n0.591101 0.041981 0.068694 O\n0.591101 0.458018 0.931306 O\n0.908899 0.958018 0.568694 O\n0.091101 0.458018 0.568694 O\n0.408899 0.958018 0.931306 O\n0.408899 0.541982 0.068694 O\n0.091101 0.041981 0.431306 O\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "Sr",
                "Mo",
                "H",
                "O"
            ],
            "chemical_system": "H-Mo-O-Sr",
            "density": 3.9647159443807345,
            "density_atomic": 0.08009835745803892,
            "volume": 2397.0528996251005,
            "volume_molar": 7.518432276410681,
            "formula_full": "Sr8 Mo32 H32 O120",
            "formula_reduced": "SrMo4H4O15",
            "formula_anonymous": "AB4C4D15",
            "energy": -1434.83096467,
            "energy_per_atom": -7.473077940989583,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1249.92696467,
            "band_gap": 2.7446,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004789,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:38.504000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1224824",
            "created_at": "2022-09-04T14:39:33.242123Z",
            "structure_string": "Mn20 Cu4 Te48 O120\n1.0\n8.941920 -0.083347 -0.000012\n-0.083353 8.943765 13.070142\n0.166657 -17.882760 13.066898\nMn Cu Te O\n20 4 48 120\ndirect\n0.249780 0.749474 0.749705 Mn\n0.250182 0.416093 0.083077 Mn\n0.250039 0.082826 0.416381 Mn\n0.749895 0.916557 0.583276 Mn\n0.750009 0.582137 0.916116 Mn\n0.750070 0.249850 0.249928 Mn\n0.750084 0.583578 0.416791 Mn\n0.750014 0.251104 0.750557 Mn\n0.749965 0.916820 0.083428 Mn\n0.249896 0.417281 0.583629 Mn\n0.249976 0.083825 0.917036 Mn\n0.250071 0.750558 0.250262 Mn\n0.750028 0.083326 0.166678 Mn\n0.750071 0.750030 0.500014 Mn\n0.750056 0.749690 0.999888 Mn\n0.750036 0.416694 0.333284 Mn\n0.749947 0.083622 0.666844 Mn\n0.249983 0.583308 0.166413 Mn\n0.250141 0.250019 0.500215 Mn\n0.249712 0.916608 0.833416 Mn\n0.249660 0.249851 0.000091 Cu\n0.250087 0.916674 0.333374 Cu\n0.250488 0.583468 0.666579 Cu\n0.749984 0.416673 0.833305 Cu\n0.570676 0.423300 0.695174 Te\n0.566200 0.089052 0.027563 Te\n0.566247 0.755713 0.360920 Te\n0.432222 0.590570 0.527634 Te\n0.430968 0.257206 0.861364 Te\n0.432228 0.923953 0.194247 Te\n0.067836 0.733734 0.384567 Te\n0.068959 0.400961 0.717698 Te\n0.067788 0.066994 0.051189 Te\n0.933815 0.566413 0.550280 Te\n0.929307 0.234698 0.883782 Te\n0.933684 0.899743 0.216907 Te\n0.536531 0.764497 0.850326 Te\n0.535300 0.432157 0.183956 Te\n0.535387 0.099009 0.517510 Te\n0.462145 0.931080 0.684267 Te\n0.462319 0.597751 0.017289 Te\n0.462161 0.264639 0.350782 Te\n0.037853 0.055920 0.559572 Te\n0.037605 0.722442 0.892780 Te\n0.037883 0.389272 0.225944 Te\n0.964713 0.889593 0.726920 Te\n0.963461 0.555292 0.059571 Te\n0.964653 0.222758 0.393479 Te\n0.436127 0.244695 0.640441 Te\n0.435917 0.910477 0.972897 Te\n0.435813 0.577359 0.306272 Te\n0.562490 0.077387 0.807512 Te\n0.563049 0.743698 0.140641 Te\n0.563324 0.410536 0.474075 Te\n0.936841 0.935595 0.948905 Te\n0.936819 0.602304 0.282240 Te\n0.937457 0.269130 0.615709 Te\n0.063845 0.102161 0.782886 Te\n0.064068 0.767416 0.116004 Te\n0.064255 0.434297 0.449420 Te\n0.465879 0.900172 0.483257 Te\n0.467099 0.564150 0.817344 Te\n0.465939 0.233424 0.149984 Te\n0.535816 0.731789 0.649824 Te\n0.533996 0.397992 0.983538 Te\n0.535505 0.065190 0.316514 Te\n0.965945 0.610750 0.770848 Te\n0.964217 0.277018 0.104514 Te\n0.964525 0.943813 0.437964 Te\n0.034074 0.777736 0.605645 Te\n0.032929 0.444519 0.936957 Te\n0.034079 0.111018 0.272304 Te\n0.117505 0.483391 0.654852 O\n0.114396 0.150537 0.988905 O\n0.114716 0.817229 0.322273 O\n0.895302 0.646020 0.486098 O\n0.883914 0.317043 0.821180 O\n0.895136 0.979301 0.152692 O\n0.604735 0.696629 0.435398 O\n0.615953 0.367297 0.770962 O\n0.604715 0.030006 0.102027 O\n0.385651 0.535375 0.604102 O\n0.382575 0.200869 0.937277 O\n0.385253 0.868779 0.270714 O\n0.670788 0.955994 0.676433 O\n0.671133 0.622193 0.009631 O\n0.670921 0.289276 0.343053 O\n0.328663 0.788594 0.843452 O\n0.327473 0.456166 0.177139 O\n0.327669 0.123007 0.510422 O\n0.172514 0.888259 0.745228 O\n0.171350 0.554096 0.077880 O\n0.172349 0.221481 0.411834 O\n0.829113 0.053809 0.578610 O\n0.828827 0.720238 0.911640 O\n0.829216 0.387116 0.245103 O\n0.897053 0.188428 0.679724 O\n0.896740 0.854750 0.012852 O\n0.896818 0.521507 0.346231 O\n0.101455 0.021494 0.846545 O\n0.102259 0.686953 0.179640 O\n0.102258 0.353682 0.512977 O\n0.397657 0.968484 0.898041 O\n0.397973 0.635290 0.231364 O\n0.398685 0.302630 0.565416 O\n0.602819 0.135829 0.732369 O\n0.603179 0.802118 0.065463 O\n0.603188 0.468866 0.398862 O\n0.327720 0.702097 0.658542 O\n0.325757 0.368892 0.992878 O\n0.327371 0.035469 0.325094 O\n0.673909 0.877080 0.490943 O\n0.674608 0.535802 0.825908 O\n0.673975 0.210411 0.157572 O\n0.826063 0.780210 0.587768 O\n0.825408 0.446508 0.915199 O\n0.826026 0.113642 0.254396 O\n0.174187 0.613502 0.748291 O\n0.172274 0.278782 0.081850 O\n0.172670 0.945303 0.415285 O\n0.380502 0.371261 0.678841 O\n0.376635 0.038020 0.009946 O\n0.376530 0.704875 0.343230 O\n0.621561 0.538698 0.511009 O\n0.620054 0.204896 0.844742 O\n0.621575 0.872161 0.177696 O\n0.878528 0.694303 0.355495 O\n0.879919 0.361263 0.688357 O\n0.878424 0.027656 0.022184 O\n0.123483 0.525950 0.522143 O\n0.119488 0.195610 0.854527 O\n0.123322 0.859235 0.188770 O\n0.520133 0.990501 0.558427 O\n0.524549 0.655359 0.891224 O\n0.520240 0.323640 0.224970 O\n0.473947 0.821428 0.724343 O\n0.473190 0.488897 0.058001 O\n0.473806 0.155265 0.390895 O\n0.026671 0.740300 0.806634 O\n0.026220 0.406308 0.139508 O\n0.026173 0.072799 0.473226 O\n0.979775 0.907956 0.640905 O\n0.975437 0.573406 0.973186 O\n0.979824 0.241171 0.307460 O\n0.627065 0.294106 0.659330 O\n0.626207 0.960712 0.990396 O\n0.626189 0.627504 0.323832 O\n0.372162 0.126700 0.826689 O\n0.373597 0.793955 0.160009 O\n0.373614 0.460545 0.493344 O\n0.126418 0.978056 0.975941 O\n0.126440 0.644654 0.309196 O\n0.127786 0.311119 0.642247 O\n0.872915 0.143808 0.809590 O\n0.873748 0.807446 0.143628 O\n0.873865 0.474274 0.477107 O\n0.486643 0.673098 0.776762 O\n0.481519 0.342368 0.109575 O\n0.481527 0.009114 0.442900 O\n0.516973 0.840561 0.609660 O\n0.515385 0.506974 0.943378 O\n0.516708 0.173960 0.276266 O\n0.983123 0.926281 0.523889 O\n0.984508 0.593553 0.856896 O\n0.983269 0.259837 0.190456 O\n0.018524 0.760342 0.691763 O\n0.013292 0.426743 0.023133 O\n0.018555 0.093486 0.358405 O\n0.552916 0.684267 0.565690 O\n0.546284 0.348713 0.901288 O\n0.552765 0.017657 0.232423 O\n0.455813 0.514655 0.735287 O\n0.454617 0.181738 0.068272 O\n0.454619 0.848421 0.401636 O\n0.045419 0.651593 0.598521 O\n0.044123 0.318636 0.931335 O\n0.045268 0.984916 0.265083 O\n0.947252 0.815732 0.434276 O\n0.953614 0.484626 0.765443 O\n0.947200 0.149065 0.100995 O\n0.054300 0.851544 0.898672 O\n0.054014 0.518007 0.231904 O\n0.054155 0.184577 0.565251 O\n0.947284 0.017862 0.732947 O\n0.947942 0.683670 0.065448 O\n0.947486 0.350864 0.399150 O\n0.552757 0.149920 0.600952 O\n0.552055 0.815162 0.933952 O\n0.552567 0.482468 0.267461 O\n0.445881 0.981769 0.768005 O\n0.445689 0.648765 0.101334 O\n0.445925 0.315341 0.434746 O\n",
            "nsites": 192,
            "nelements": 4,
            "elements": [
                "Mn",
                "Cu",
                "Te",
                "O"
            ],
            "chemical_system": "Cu-Mn-O-Te",
            "density": 4.978145457486741,
            "density_atomic": 0.061249054480148786,
            "volume": 3134.7422687517314,
            "volume_molar": 9.832218327471185,
            "formula_full": "Mn20 Cu4 Te48 O120",
            "formula_reduced": "Mn5Cu(Te2O5)6",
            "formula_anonymous": "AB5C12D30",
            "energy": -1254.87751416,
            "energy_per_atom": -6.535820386249999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1139.07751416,
            "band_gap": 0.3717999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 96.0000367,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.790000Z",
            "spacegroup": 1
        },
        {
            "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-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-1202355",
            "created_at": "2022-09-04T14:40:22.618896Z",
            "structure_string": "Cs4 Cr4 H96 Se8 O80\n1.0\n12.711585 0.000001 0.000013\n0.000001 12.711566 0.000007\n0.000013 0.000007 12.711584\nCs Cr H Se O\n4 4 96 8 80\ndirect\n0.500002 0.500002 0.999994 Cs\n0.500004 0.999995 0.499995 Cs\n0.000001 0.499999 0.499997 Cs\n0.000003 0.999996 0.999996 Cs\n0.000163 0.000161 0.500403 Cr\n0.999658 0.499951 0.000491 Cr\n0.499962 0.000273 0.000187 Cr\n0.499613 0.499787 0.499928 Cr\n0.381285 0.333015 0.215553 H\n0.618725 0.833014 0.284433 H\n0.118723 0.666983 0.715554 H\n0.881286 0.166983 0.784433 H\n0.215564 0.381277 0.333008 H\n0.284443 0.618716 0.833011 H\n0.715563 0.118719 0.666979 H\n0.784442 0.881281 0.166977 H\n0.333019 0.215560 0.381272 H\n0.833019 0.284439 0.618712 H\n0.666987 0.715559 0.118711 H\n0.166988 0.784439 0.881273 H\n0.618724 0.666982 0.784432 H\n0.381283 0.166982 0.715552 H\n0.881282 0.333014 0.284433 H\n0.118723 0.833016 0.215555 H\n0.784442 0.618715 0.666975 H\n0.715564 0.381278 0.166979 H\n0.284443 0.881279 0.333009 H\n0.215564 0.118717 0.833009 H\n0.666989 0.784439 0.618713 H\n0.166987 0.715559 0.381274 H\n0.333019 0.284440 0.881272 H\n0.833019 0.215558 0.118712 H\n0.498352 0.296689 0.225060 H\n0.501656 0.796688 0.274925 H\n0.001656 0.703308 0.725063 H\n0.998354 0.203311 0.774922 H\n0.225073 0.498347 0.296682 H\n0.274932 0.501652 0.796688 H\n0.725070 0.001651 0.703300 H\n0.774934 0.998347 0.203303 H\n0.296691 0.225069 0.498342 H\n0.796694 0.274930 0.501645 H\n0.703313 0.725068 0.001644 H\n0.203314 0.774931 0.998341 H\n0.501657 0.703306 0.774927 H\n0.498350 0.203308 0.725063 H\n0.998352 0.296690 0.274926 H\n0.001657 0.796688 0.225059 H\n0.774938 0.501652 0.703302 H\n0.725071 0.498348 0.203306 H\n0.274936 0.998348 0.296684 H\n0.225073 0.001649 0.796683 H\n0.703315 0.774928 0.501643 H\n0.203315 0.725068 0.498341 H\n0.296693 0.274928 0.998341 H\n0.796694 0.225063 0.001645 H\n0.924034 0.807273 0.470217 H\n0.075979 0.307270 0.029772 H\n0.575978 0.192731 0.970216 H\n0.424038 0.692727 0.529768 H\n0.470230 0.924027 0.807266 H\n0.029776 0.075962 0.307265 H\n0.970224 0.575976 0.192729 H\n0.529779 0.424028 0.692724 H\n0.807274 0.470223 0.924014 H\n0.307271 0.029774 0.075966 H\n0.192741 0.970222 0.575967 H\n0.692731 0.529772 0.424028 H\n0.075979 0.192737 0.529768 H\n0.924032 0.692729 0.970217 H\n0.424039 0.807271 0.029770 H\n0.575980 0.307270 0.470215 H\n0.529782 0.075970 0.192727 H\n0.970228 0.924021 0.692726 H\n0.029778 0.424037 0.807270 H\n0.470226 0.575975 0.307261 H\n0.192737 0.529772 0.075960 H\n0.692732 0.970223 0.924021 H\n0.807279 0.029775 0.424023 H\n0.307272 0.470223 0.575969 H\n0.051842 0.793922 0.476684 H\n0.948163 0.293914 0.023308 H\n0.448158 0.206082 0.976678 H\n0.551847 0.706075 0.523305 H\n0.476692 0.051835 0.793914 H\n0.023318 0.948163 0.293922 H\n0.976691 0.448147 0.206084 H\n0.523316 0.551842 0.706070 H\n0.793918 0.476687 0.051835 H\n0.293923 0.023310 0.948150 H\n0.206084 0.976684 0.448146 H\n0.706078 0.523310 0.551830 H\n0.948156 0.206082 0.523308 H\n0.051846 0.706074 0.976681 H\n0.551842 0.793922 0.023305 H\n0.448162 0.293914 0.476680 H\n0.523319 0.948149 0.206074 H\n0.976690 0.051847 0.706081 H\n0.023313 0.551833 0.793922 H\n0.476694 0.448158 0.293910 H\n0.206078 0.523312 0.948150 H\n0.706085 0.976686 0.051834 H\n0.793922 0.023310 0.551829 H\n0.293919 0.476685 0.448147 H\n0.314702 0.685301 0.185296 Se\n0.685312 0.185298 0.314691 Se\n0.185301 0.314695 0.685301 Se\n0.814695 0.814695 0.814693 Se\n0.685306 0.314697 0.814684 Se\n0.314705 0.814692 0.685296 Se\n0.814691 0.685301 0.314697 Se\n0.185305 0.185302 0.185296 Se\n0.238294 0.761708 0.261701 O\n0.761713 0.261709 0.238283 O\n0.261714 0.238292 0.761700 O\n0.738296 0.738293 0.738287 O\n0.761712 0.238287 0.738281 O\n0.238297 0.738293 0.761700 O\n0.738297 0.761707 0.238284 O\n0.261715 0.261710 0.261703 O\n0.265425 0.563011 0.179427 O\n0.734583 0.063009 0.320565 O\n0.234588 0.436987 0.679413 O\n0.765421 0.936992 0.820563 O\n0.179432 0.265415 0.563002 O\n0.320578 0.734580 0.063009 O\n0.679435 0.234584 0.436984 O\n0.820572 0.765412 0.936984 O\n0.563013 0.179430 0.265406 O\n0.063017 0.320569 0.734568 O\n0.436994 0.679422 0.234578 O\n0.936997 0.820570 0.765413 O\n0.734588 0.436986 0.820568 O\n0.265422 0.936992 0.679417 O\n0.765417 0.563009 0.320568 O\n0.234587 0.063008 0.179422 O\n0.820567 0.734577 0.436982 O\n0.679429 0.265417 0.936985 O\n0.320575 0.765415 0.563001 O\n0.179432 0.234584 0.063003 O\n0.436991 0.820572 0.734576 O\n0.936994 0.679419 0.265409 O\n0.563012 0.320573 0.765411 O\n0.063018 0.179429 0.234572 O\n0.454229 0.359648 0.210136 O\n0.545782 0.859649 0.289852 O\n0.045784 0.640357 0.710133 O\n0.954230 0.140351 0.789850 O\n0.210144 0.454220 0.359642 O\n0.289862 0.545776 0.859644 O\n0.710145 0.045778 0.640345 O\n0.789862 0.954222 0.140349 O\n0.359649 0.210139 0.454216 O\n0.859654 0.289853 0.545770 O\n0.640357 0.710135 0.045770 O\n0.140353 0.789862 0.954215 O\n0.545782 0.640347 0.789851 O\n0.454224 0.140354 0.710130 O\n0.954226 0.359652 0.289851 O\n0.045783 0.859642 0.210129 O\n0.789864 0.545775 0.640348 O\n0.710146 0.454220 0.140345 O\n0.289864 0.954224 0.359645 O\n0.210145 0.045774 0.859643 O\n0.640360 0.789861 0.545769 O\n0.140359 0.710137 0.454217 O\n0.359653 0.289860 0.954214 O\n0.859653 0.210139 0.045771 O\n0.990447 0.842190 0.495375 O\n0.009559 0.342182 0.004625 O\n0.509566 0.157841 0.995372 O\n0.490429 0.657804 0.504611 O\n0.495389 0.990445 0.842183 O\n0.004630 0.009568 0.342205 O\n0.995378 0.509563 0.157852 O\n0.504621 0.490425 0.657809 O\n0.842156 0.495382 0.990442 O\n0.342180 0.004625 0.009567 O\n0.157839 0.995378 0.509570 O\n0.657800 0.504618 0.490429 O\n0.009576 0.157835 0.504616 O\n0.990426 0.657818 0.995376 O\n0.490441 0.842201 0.004616 O\n0.509556 0.342165 0.495371 O\n0.504628 0.009574 0.157827 O\n0.995383 0.990439 0.657846 O\n0.004615 0.490436 0.842211 O\n0.495379 0.509560 0.342167 O\n0.157807 0.504616 0.009574 O\n0.657826 0.995377 0.990438 O\n0.842200 0.004624 0.490441 O\n0.342161 0.495380 0.509555 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "Cr",
                "H",
                "Se",
                "O"
            ],
            "chemical_system": "Cr-Cs-H-O-Se",
            "density": 2.22160816217981,
            "density_atomic": 0.09347657566227069,
            "volume": 2053.9905173002144,
            "volume_molar": 6.442406257753701,
            "formula_full": "Cs4 Cr4 H96 Se8 O80",
            "formula_reduced": "CsCrH24(SeO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -1052.45523295,
            "energy_per_atom": -5.481537671614583,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -989.49923295,
            "band_gap": 3.957,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 11.9999994,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.037000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1266086",
            "created_at": "2022-09-04T14:40:00.007938Z",
            "structure_string": "Cs4 Al4 H96 S8 O80\n1.0\n13.190421 0.052482 0.052482\n0.052482 13.190421 0.052482\n0.052482 0.052482 13.190421\nCs Al H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.333228 0.118698 0.263640 H\n0.667570 0.619847 0.249417 H\n0.169238 0.878818 0.754704 H\n0.830470 0.377584 0.749195 H\n0.263640 0.333228 0.118698 H\n0.249417 0.667570 0.619847 H\n0.754704 0.169238 0.878818 H\n0.749195 0.830470 0.377584 H\n0.118698 0.263640 0.333228 H\n0.619847 0.249417 0.667570 H\n0.878818 0.754704 0.169238 H\n0.377584 0.749195 0.830470 H\n0.666772 0.881302 0.736360 H\n0.332430 0.380153 0.750583 H\n0.830762 0.121182 0.245296 H\n0.169530 0.622416 0.250805 H\n0.736360 0.666772 0.881302 H\n0.750583 0.332430 0.380153 H\n0.245296 0.830762 0.121182 H\n0.250805 0.169530 0.622416 H\n0.881302 0.736360 0.666772 H\n0.380153 0.750583 0.332430 H\n0.121182 0.245296 0.830762 H\n0.622416 0.250805 0.169530 H\n0.505787 0.272139 0.183144 H\n0.496269 0.770782 0.321000 H\n0.998346 0.719078 0.687253 H\n0.004402 0.226426 0.817014 H\n0.183144 0.505787 0.272139 H\n0.321000 0.496269 0.770782 H\n0.687253 0.998346 0.719078 H\n0.817014 0.004402 0.226426 H\n0.272139 0.183144 0.505787 H\n0.770782 0.321000 0.496269 H\n0.719078 0.687253 0.998346 H\n0.226426 0.817014 0.004402 H\n0.494213 0.727861 0.816856 H\n0.503731 0.229218 0.679000 H\n0.001654 0.280922 0.312748 H\n0.995598 0.773574 0.182986 H\n0.816856 0.494213 0.727861 H\n0.679000 0.503731 0.229218 H\n0.312748 0.001654 0.280922 H\n0.182986 0.995598 0.773574 H\n0.727861 0.816856 0.494213 H\n0.229218 0.679000 0.503731 H\n0.280922 0.312748 0.001654 H\n0.773574 0.182986 0.995598 H\n0.166301 0.182935 0.053281 H\n0.829367 0.680493 0.447147 H\n0.330786 0.818188 0.549067 H\n0.666728 0.318792 0.949238 H\n0.053281 0.166301 0.182935 H\n0.447147 0.829367 0.680493 H\n0.549067 0.330786 0.818188 H\n0.949238 0.666728 0.318792 H\n0.182935 0.053281 0.166301 H\n0.680493 0.447147 0.829367 H\n0.818188 0.549067 0.330786 H\n0.318792 0.949238 0.666728 H\n0.833699 0.817065 0.946719 H\n0.170633 0.319507 0.552853 H\n0.669214 0.181812 0.450933 H\n0.333272 0.681208 0.050762 H\n0.946719 0.833699 0.817065 H\n0.552853 0.170633 0.319507 H\n0.450933 0.669214 0.181812 H\n0.050762 0.333272 0.681208 H\n0.817065 0.946719 0.833699 H\n0.319507 0.552853 0.170633 H\n0.181812 0.450933 0.669214 H\n0.681208 0.050762 0.333272 H\n0.157397 0.037555 0.214951 H\n0.847545 0.537049 0.283353 H\n0.345916 0.963151 0.714415 H\n0.654926 0.462655 0.780863 H\n0.214951 0.157397 0.037555 H\n0.283353 0.847545 0.537049 H\n0.714415 0.345916 0.963151 H\n0.780863 0.654926 0.462655 H\n0.037555 0.214951 0.157397 H\n0.537049 0.283353 0.847545 H\n0.963151 0.714415 0.345916 H\n0.462655 0.780863 0.654926 H\n0.842603 0.962445 0.785049 H\n0.152455 0.462951 0.716647 H\n0.654084 0.036849 0.285585 H\n0.345074 0.537345 0.219137 H\n0.785049 0.842603 0.962445 H\n0.716647 0.152455 0.462951 H\n0.285585 0.654084 0.036849 H\n0.219137 0.345074 0.537345 H\n0.962445 0.785049 0.842603 H\n0.462951 0.716647 0.152455 H\n0.036849 0.285585 0.654084 H\n0.537345 0.219137 0.345074 H\n0.174050 0.825227 0.321704 S\n0.825227 0.321704 0.174050 S\n0.321704 0.174050 0.825227 S\n0.676286 0.676286 0.676286 S\n0.825950 0.174773 0.678296 S\n0.174773 0.678296 0.825950 S\n0.678296 0.825950 0.174773 S\n0.323714 0.323714 0.323714 S\n0.239213 0.761062 0.254948 O\n0.761062 0.254948 0.239213 O\n0.254948 0.239213 0.761062 O\n0.741041 0.741041 0.741041 O\n0.760787 0.238938 0.745052 O\n0.238938 0.745052 0.760787 O\n0.745052 0.760787 0.238938 O\n0.258959 0.258959 0.258959 O\n0.072809 0.844064 0.275063 O\n0.925284 0.340447 0.221956 O\n0.421955 0.156275 0.775294 O\n0.575246 0.659722 0.724756 O\n0.275063 0.072809 0.844064 O\n0.221956 0.925284 0.340447 O\n0.775294 0.421955 0.156275 O\n0.724756 0.575246 0.659722 O\n0.844064 0.275063 0.072809 O\n0.340447 0.221956 0.925284 O\n0.156275 0.775294 0.421955 O\n0.659722 0.724756 0.575246 O\n0.927191 0.155936 0.724937 O\n0.074716 0.659553 0.778044 O\n0.578045 0.843725 0.224706 O\n0.424754 0.340278 0.275244 O\n0.724937 0.927191 0.155936 O\n0.778044 0.074716 0.659553 O\n0.224706 0.578045 0.843725 O\n0.275244 0.424754 0.340278 O\n0.155936 0.724937 0.927191 O\n0.659553 0.778044 0.074716 O\n0.843725 0.224706 0.578045 O\n0.340278 0.275244 0.424754 O\n0.246012 0.359400 0.050415 O\n0.764047 0.860595 0.444366 O\n0.264752 0.635737 0.553930 O\n0.738790 0.138992 0.946215 O\n0.050415 0.246012 0.359400 O\n0.444366 0.764047 0.860595 O\n0.553930 0.264752 0.635737 O\n0.946215 0.738790 0.138992 O\n0.359400 0.050415 0.246012 O\n0.860595 0.444366 0.764047 O\n0.635737 0.553930 0.264752 O\n0.138992 0.946215 0.738790 O\n0.753988 0.640600 0.949585 O\n0.235953 0.139405 0.555634 O\n0.735248 0.364263 0.446070 O\n0.261210 0.861008 0.053785 O\n0.949585 0.753988 0.640600 O\n0.555634 0.235953 0.139405 O\n0.446070 0.735248 0.364263 O\n0.053785 0.261210 0.861008 O\n0.640600 0.949585 0.753988 O\n0.139405 0.555634 0.235953 O\n0.364263 0.446070 0.735248 O\n0.861008 0.053785 0.261210 O\n0.495888 0.639761 0.982337 O\n0.499195 0.139100 0.514807 O\n0.011909 0.361210 0.476463 O\n0.994606 0.860712 0.020326 O\n0.982337 0.495888 0.639761 O\n0.514807 0.499195 0.139100 O\n0.476463 0.011909 0.361210 O\n0.020326 0.994606 0.860712 O\n0.639761 0.982337 0.495888 O\n0.139100 0.514807 0.499195 O\n0.361210 0.476463 0.011909 O\n0.860712 0.020326 0.994606 O\n0.504112 0.360239 0.017663 O\n0.500805 0.860900 0.485193 O\n0.988091 0.638790 0.523537 O\n0.005394 0.139288 0.979674 O\n0.017663 0.504112 0.360239 O\n0.485193 0.500805 0.860900 O\n0.523537 0.988091 0.638790 O\n0.979674 0.005394 0.139288 O\n0.360239 0.017663 0.504112 O\n0.860900 0.485193 0.500805 O\n0.638790 0.523537 0.988091 O\n0.139288 0.979674 0.005394 O\n",
            "nsites": 192,
            "nelements": 5,
            "elements": [
                "Cs",
                "Al",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "Al-Cs-H-O-S",
            "density": 1.6445667946177331,
            "density_atomic": 0.08366538784290643,
            "volume": 2294.8557934197006,
            "volume_molar": 7.197887818684855,
            "formula_full": "Cs4 Al4 H96 S8 O80",
            "formula_reduced": "CsAlH24(SO10)2",
            "formula_anonymous": "ABC2D20E24",
            "energy": -922.78117909,
            "energy_per_atom": -4.806151974427084,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -867.82117909,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 47.9966232,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:44.382000Z",
            "spacegroup": 148
        }
    ]
}