{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=40","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=38","results":[{"id":"mp-625628","created_at":"2022-09-04T14:43:13.942569Z","structure_string":"Ga4 H4 O8\n1.0\n0.000000 3.865687 4.849211\n3.549632 0.000000 4.849211\n3.549632 3.865687 0.000000\nGa H O\n4 4 8\ndirect\n0.313627 0.686373 0.313627 Ga\n0.917265 0.082735 0.917265 Ga\n0.167265 0.332735 0.167265 Ga\n0.563627 0.936373 0.563627 Ga\n0.757769 0.322545 0.423377 H\n0.927455 0.492231 0.753692 H\n0.423377 0.496308 0.757769 H\n0.753692 0.826623 0.927455 H\n0.252298 0.017013 0.978356 O\n0.978356 0.752333 0.252298 O\n0.232987 0.997702 0.497667 O\n0.497667 0.271644 0.232987 O\n0.745831 0.482662 0.263950 O\n0.767338 0.504169 0.742443 O\n0.263950 0.507556 0.745831 O\n0.742443 0.986050 0.767338 O\n","nsites":16,"nelements":3,"elements":["Ga","H","O"],"chemical_system":"Ga-H-O","density":5.127364388458662,"density_atomic":0.1202289038628154,"volume":133.0794799414994,"volume_molar":5.008896002970662,"formula_full":"Ga4 H4 O8","formula_reduced":"GaHO2","formula_anonymous":"ABC2","energy":-91.81503172,"energy_per_atom":-5.7384394825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.31903172,"band_gap":1.6097999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.740000Z","spacegroup":43},{"id":"mp-1205478","created_at":"2022-09-04T14:43:13.914342Z","structure_string":"Sb16 Se80 F96\n1.0\n-0.027365 0.000000 -13.741546\n0.000000 -16.681615 0.000000\n-19.321396 0.000000 6.734984\nSb Se F\n16 80 96\ndirect\n0.504387 0.925842 0.130637 Sb\n0.995613 0.425842 0.869363 Sb\n0.495613 0.074158 0.869363 Sb\n0.004387 0.574158 0.130637 Sb\n0.457201 0.401221 0.857102 Sb\n0.042799 0.901221 0.142898 Sb\n0.542799 0.598779 0.142898 Sb\n0.957201 0.098779 0.857102 Sb\n0.402570 0.924722 0.633222 Sb\n0.097430 0.424722 0.366778 Sb\n0.597429 0.075278 0.366778 Sb\n0.902571 0.575278 0.633222 Sb\n0.336796 0.595938 0.638735 Sb\n0.163204 0.095938 0.361265 Sb\n0.663204 0.404062 0.361265 Sb\n0.836796 0.904062 0.638735 Sb\n0.462004 0.259334 0.484266 Se\n0.037996 0.759334 0.515734 Se\n0.537996 0.740666 0.515734 Se\n0.962004 0.240666 0.484266 Se\n0.436976 0.387920 0.535085 Se\n0.063024 0.887920 0.464915 Se\n0.563024 0.612080 0.464915 Se\n0.936976 0.112080 0.535085 Se\n0.602286 0.427634 0.596228 Se\n0.897714 0.927634 0.403772 Se\n0.397714 0.572366 0.403772 Se\n0.102286 0.072366 0.596228 Se\n0.614520 0.388084 0.711191 Se\n0.885480 0.888084 0.288809 Se\n0.385480 0.611916 0.288809 Se\n0.114520 0.111916 0.711191 Se\n0.735009 0.287190 0.735604 Se\n0.764991 0.787190 0.264396 Se\n0.264991 0.712810 0.264396 Se\n0.235009 0.212810 0.735604 Se\n0.634266 0.162398 0.709862 Se\n0.865734 0.662398 0.290138 Se\n0.365734 0.837602 0.290138 Se\n0.134266 0.337602 0.709862 Se\n0.454899 0.217302 0.660749 Se\n0.045101 0.717302 0.339251 Se\n0.545101 0.782698 0.339251 Se\n0.954899 0.282698 0.660749 Se\n0.401842 0.160824 0.554095 Se\n0.098158 0.660824 0.445905 Se\n0.598158 0.839176 0.445905 Se\n0.901842 0.339176 0.554095 Se\n0.648252 0.237014 0.543022 Se\n0.851748 0.737014 0.456978 Se\n0.351748 0.762986 0.456978 Se\n0.148252 0.262986 0.543022 Se\n0.649648 0.118576 0.599471 Se\n0.850352 0.618576 0.400529 Se\n0.350352 0.881424 0.400529 Se\n0.149648 0.381424 0.599471 Se\n0.277092 0.257924 0.979627 Se\n0.222908 0.757924 0.020373 Se\n0.722908 0.742076 0.020373 Se\n0.777092 0.242076 0.979627 Se\n0.355214 0.384883 0.033100 Se\n0.144786 0.884883 0.966900 Se\n0.644786 0.615117 0.966900 Se\n0.855214 0.115117 0.033100 Se\n0.253328 0.422513 0.097130 Se\n0.246672 0.922513 0.902870 Se\n0.746672 0.577487 0.902870 Se\n0.753328 0.077487 0.097130 Se\n0.352555 0.377394 0.210472 Se\n0.147445 0.877394 0.789528 Se\n0.647445 0.622606 0.789528 Se\n0.852555 0.122606 0.210472 Se\n0.249107 0.279906 0.232514 Se\n0.250893 0.779906 0.767486 Se\n0.750893 0.720094 0.767486 Se\n0.749107 0.220094 0.232514 Se\n0.316154 0.152736 0.202045 Se\n0.183846 0.652736 0.797955 Se\n0.683846 0.847264 0.797955 Se\n0.816154 0.347264 0.202045 Se\n0.190425 0.116408 0.090001 Se\n0.309575 0.616408 0.909999 Se\n0.809575 0.883592 0.909999 Se\n0.690425 0.383592 0.090001 Se\n0.145952 0.238121 0.036633 Se\n0.354048 0.738121 0.963367 Se\n0.854048 0.761879 0.963367 Se\n0.645952 0.261879 0.036633 Se\n0.401556 0.155628 0.047418 Se\n0.098444 0.655628 0.952582 Se\n0.598444 0.844372 0.952582 Se\n0.901556 0.344372 0.047418 Se\n0.451425 0.205961 0.156465 Se\n0.048575 0.705961 0.843535 Se\n0.548575 0.794039 0.843535 Se\n0.951425 0.294039 0.156465 Se\n0.402456 0.983003 0.157734 F\n0.097544 0.483003 0.842266 F\n0.597544 0.016997 0.842266 F\n0.902456 0.516997 0.157734 F\n0.418681 0.933230 0.034879 F\n0.081319 0.433230 0.965121 F\n0.581319 0.066770 0.965121 F\n0.918681 0.566770 0.034879 F\n0.437160 0.826458 0.137152 F\n0.062840 0.326458 0.862848 F\n0.562840 0.173542 0.862848 F\n0.937160 0.673542 0.137152 F\n0.566779 0.027318 0.122728 F\n0.933221 0.527318 0.877272 F\n0.433221 0.972682 0.877272 F\n0.066779 0.472682 0.122728 F\n0.592035 0.912572 0.224449 F\n0.907965 0.412572 0.775551 F\n0.407965 0.087428 0.775551 F\n0.092035 0.587428 0.224449 F\n0.607272 0.873304 0.100463 F\n0.892728 0.373304 0.899537 F\n0.392728 0.126696 0.899537 F\n0.107272 0.626696 0.100463 F\n0.584271 0.348691 0.863344 F\n0.915729 0.848691 0.136656 F\n0.415729 0.651309 0.136656 F\n0.084271 0.151309 0.863344 F\n0.520560 0.447892 0.947427 F\n0.979440 0.947892 0.052573 F\n0.479440 0.552108 0.052573 F\n0.020560 0.052108 0.947427 F\n0.392535 0.351256 0.768162 F\n0.107465 0.851256 0.231838 F\n0.607465 0.648744 0.231838 F\n0.892535 0.148744 0.768162 F\n0.329535 0.454360 0.848663 F\n0.170465 0.954360 0.151337 F\n0.670465 0.545640 0.151337 F\n0.829535 0.045640 0.848663 F\n0.501170 0.492073 0.816955 F\n0.998830 0.992073 0.183045 F\n0.498830 0.507927 0.183045 F\n0.001170 0.007927 0.816955 F\n0.413690 0.312351 0.901401 F\n0.086310 0.812351 0.098599 F\n0.586310 0.687649 0.098599 F\n0.913690 0.187649 0.901401 F\n0.490098 0.831609 0.652187 F\n0.009902 0.331609 0.347813 F\n0.509902 0.168391 0.347813 F\n0.990098 0.668391 0.652187 F\n0.518458 0.989821 0.682362 F\n0.981542 0.489821 0.317638 F\n0.481542 0.010179 0.317638 F\n0.018458 0.510179 0.682362 F\n0.317890 0.020202 0.615703 F\n0.182110 0.520202 0.384297 F\n0.682110 0.979798 0.384297 F\n0.817890 0.479798 0.615703 F\n0.284317 0.862704 0.581089 F\n0.215683 0.362704 0.418911 F\n0.715683 0.137296 0.418911 F\n0.784317 0.637296 0.581089 F\n0.370602 0.902856 0.716136 F\n0.129398 0.402856 0.283864 F\n0.629398 0.097144 0.283864 F\n0.870602 0.597144 0.716136 F\n0.433409 0.943005 0.549156 F\n0.066591 0.443005 0.450844 F\n0.566591 0.056995 0.450844 F\n0.933409 0.556995 0.549156 F\n0.388785 0.662012 0.719859 F\n0.111215 0.162012 0.280141 F\n0.611215 0.337988 0.280141 F\n0.888785 0.837988 0.719859 F\n0.282305 0.530373 0.557363 F\n0.217695 0.030373 0.442637 F\n0.717695 0.469627 0.442637 F\n0.782305 0.969627 0.557363 F\n0.417946 0.653521 0.592884 F\n0.082054 0.153521 0.407116 F\n0.582054 0.346479 0.407116 F\n0.917946 0.846479 0.592884 F\n0.226251 0.671324 0.600574 F\n0.273749 0.171324 0.399426 F\n0.773749 0.328676 0.399426 F\n0.726251 0.828676 0.600574 F\n0.254371 0.538307 0.682693 F\n0.245629 0.038307 0.317307 F\n0.745629 0.461693 0.317307 F\n0.754371 0.961693 0.682693 F\n0.448219 0.522003 0.674161 F\n0.051782 0.022003 0.325839 F\n0.551782 0.477997 0.325839 F\n0.948218 0.977997 0.674161 F\n","nsites":192,"nelements":3,"elements":["Sb","Se","F"],"chemical_system":"F-Sb-Se","density":3.7798567691296645,"density_atomic":0.04331992271720436,"volume":4432.140870919602,"volume_molar":13.901550100430644,"formula_full":"Sb16 Se80 F96","formula_reduced":"SbSe5F6","formula_anonymous":"AB5C6","energy":-834.67562436,"energy_per_atom":-4.347268876875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-790.3236243599999,"band_gap":1.4677,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0182116,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.651000Z","spacegroup":14},{"id":"mp-1204634","created_at":"2022-09-04T14:43:14.022380Z","structure_string":"U4 H168 C56 S28 Cl16 O28\n1.0\n-10.088799 0.000000 0.340431\n0.038412 0.000000 -16.118490\n0.000000 -22.893408 0.000000\nU H C S Cl O\n4 168 56 28 16 28\ndirect\n0.752981 0.804456 0.405403 U\n0.252981 0.304456 0.094597 U\n0.247019 0.195544 0.594597 U\n0.747019 0.695544 0.905403 U\n0.520528 0.070180 0.438261 H\n0.020528 0.570180 0.061739 H\n0.479473 0.929820 0.561739 H\n0.979472 0.429820 0.938261 H\n0.515923 0.125506 0.370541 H\n0.015923 0.625506 0.129459 H\n0.484077 0.874494 0.629459 H\n0.984077 0.374494 0.870541 H\n0.669274 0.123831 0.411277 H\n0.169274 0.623831 0.088723 H\n0.330726 0.876169 0.588723 H\n0.830726 0.376169 0.911277 H\n0.734239 0.001334 0.269854 H\n0.234239 0.501334 0.230146 H\n0.265761 0.998666 0.730146 H\n0.765761 0.498666 0.769854 H\n0.787491 0.084646 0.318619 H\n0.287491 0.584646 0.181381 H\n0.212509 0.915354 0.681381 H\n0.712509 0.415354 0.818619 H\n0.633546 0.089718 0.279011 H\n0.133546 0.589718 0.220989 H\n0.366454 0.910282 0.720989 H\n0.866454 0.410282 0.779011 H\n0.032672 0.848172 0.588302 H\n0.532672 0.348172 0.911698 H\n0.967328 0.151828 0.411698 H\n0.467328 0.651828 0.088302 H\n0.962704 0.930657 0.629444 H\n0.462704 0.430657 0.870556 H\n0.037296 0.069343 0.370557 H\n0.537296 0.569343 0.129443 H\n0.051895 0.954853 0.562586 H\n0.551895 0.454853 0.937414 H\n0.948105 0.045147 0.437414 H\n0.448105 0.545147 0.062586 H\n0.690786 0.006681 0.529945 H\n0.190786 0.506681 0.970055 H\n0.309214 0.993319 0.470055 H\n0.809214 0.493319 0.029945 H\n0.863277 0.040640 0.530999 H\n0.363277 0.540640 0.969001 H\n0.136723 0.959360 0.469001 H\n0.636723 0.459360 0.030999 H\n0.775716 0.017374 0.598694 H\n0.275716 0.517374 0.901306 H\n0.224284 0.982626 0.401306 H\n0.724284 0.482626 0.098694 H\n0.444422 0.622476 0.464906 H\n0.944422 0.122476 0.035094 H\n0.555578 0.377524 0.535094 H\n0.055578 0.877524 0.964906 H\n0.414712 0.601431 0.540791 H\n0.914712 0.101431 0.959209 H\n0.585288 0.398569 0.459209 H\n0.085288 0.898569 0.040791 H\n0.571878 0.575353 0.509290 H\n0.071878 0.075353 0.990710 H\n0.428122 0.424647 0.490710 H\n0.928122 0.924647 0.009290 H\n0.656365 0.748439 0.620266 H\n0.156365 0.248439 0.879734 H\n0.343635 0.251561 0.379734 H\n0.843635 0.751561 0.120266 H\n0.686637 0.642585 0.595717 H\n0.186637 0.142585 0.904283 H\n0.313363 0.357415 0.404283 H\n0.813363 0.857415 0.095717 H\n0.526190 0.669534 0.624027 H\n0.026190 0.169534 0.875973 H\n0.473810 0.330466 0.375973 H\n0.973810 0.830466 0.124027 H\n0.508243 0.536922 0.357631 H\n0.008243 0.036922 0.142369 H\n0.491757 0.463078 0.642369 H\n0.991757 0.963078 0.857631 H\n0.630986 0.459519 0.345353 H\n0.130986 0.959519 0.154647 H\n0.369014 0.540481 0.654647 H\n0.869014 0.040481 0.845353 H\n0.619457 0.544798 0.294512 H\n0.119457 0.044798 0.205488 H\n0.380543 0.455202 0.705488 H\n0.880543 0.955202 0.794512 H\n0.962115 0.574656 0.365782 H\n0.462115 0.074656 0.134218 H\n0.037885 0.425344 0.634218 H\n0.537885 0.925344 0.865782 H\n0.863794 0.565246 0.298618 H\n0.363794 0.065246 0.201382 H\n0.136206 0.434754 0.701382 H\n0.636206 0.934754 0.798618 H\n0.871252 0.479373 0.349433 H\n0.371252 0.979373 0.150567 H\n0.128748 0.520627 0.650567 H\n0.628748 0.020627 0.849433 H\n0.440971 0.704599 0.310011 H\n0.940971 0.204599 0.189989 H\n0.559029 0.295401 0.689989 H\n0.059029 0.795401 0.810011 H\n0.561482 0.677230 0.254480 H\n0.061482 0.177230 0.245520 H\n0.438518 0.322770 0.745520 H\n0.938518 0.822770 0.754480 H\n0.405244 0.720795 0.233493 H\n0.905244 0.220795 0.266507 H\n0.594756 0.279205 0.766507 H\n0.094756 0.779205 0.733493 H\n0.652190 0.890590 0.186744 H\n0.152190 0.390590 0.313256 H\n0.347810 0.109410 0.813256 H\n0.847810 0.609410 0.686744 H\n0.517021 0.818888 0.169136 H\n0.017021 0.318888 0.330864 H\n0.482979 0.181112 0.830864 H\n0.982979 0.681112 0.669136 H\n0.677267 0.778908 0.188121 H\n0.177267 0.278908 0.311879 H\n0.322733 0.221092 0.811879 H\n0.822733 0.721092 0.688121 H\n0.178676 0.804902 0.462745 H\n0.678676 0.304902 0.037255 H\n0.821324 0.195098 0.537255 H\n0.321324 0.695098 0.962745 H\n0.200925 0.698566 0.439350 H\n0.700925 0.198566 0.060650 H\n0.799075 0.301434 0.560650 H\n0.299075 0.801434 0.939350 H\n0.233960 0.729554 0.514574 H\n0.733960 0.229554 0.985426 H\n0.766040 0.270446 0.485426 H\n0.266040 0.770446 0.014574 H\n0.929538 0.580568 0.526617 H\n0.429538 0.080568 0.973383 H\n0.070462 0.419432 0.473383 H\n0.570462 0.919432 0.026617 H\n0.096451 0.607597 0.548647 H\n0.596451 0.107597 0.951353 H\n0.903549 0.392403 0.451353 H\n0.403549 0.892403 0.048647 H\n0.065861 0.576700 0.473458 H\n0.565861 0.076700 0.026542 H\n0.934139 0.423300 0.526542 H\n0.434139 0.923300 0.973458 H\n0.185537 0.942186 0.306383 H\n0.685537 0.442186 0.193617 H\n0.814463 0.057814 0.693617 H\n0.314463 0.557814 0.806383 H\n0.216635 0.862268 0.254047 H\n0.716635 0.362268 0.245953 H\n0.783365 0.137732 0.745953 H\n0.283365 0.637732 0.754047 H\n0.219600 0.837567 0.331191 H\n0.719600 0.337567 0.168809 H\n0.780400 0.162433 0.668809 H\n0.280400 0.662433 0.831191 H\n0.921676 0.712360 0.262214 H\n0.421676 0.212360 0.237786 H\n0.078324 0.287640 0.737786 H\n0.578324 0.787640 0.762214 H\n0.072277 0.709583 0.305795 H\n0.572277 0.209583 0.194205 H\n0.927723 0.290417 0.694205 H\n0.427723 0.790417 0.805795 H\n0.079380 0.741286 0.229522 H\n0.579380 0.241286 0.270478 H\n0.920620 0.258714 0.770478 H\n0.420620 0.758714 0.729522 H\n0.577861 0.088851 0.399575 C\n0.077861 0.588851 0.100425 C\n0.422139 0.911149 0.600425 C\n0.922139 0.411149 0.899575 C\n0.702759 0.048673 0.300592 C\n0.202759 0.548673 0.199408 C\n0.297241 0.951327 0.699408 C\n0.797241 0.451327 0.800592 C\n0.987949 0.908922 0.585499 C\n0.487949 0.408922 0.914501 C\n0.012051 0.091078 0.414501 C\n0.512051 0.591078 0.085499 C\n0.785865 0.001946 0.552298 C\n0.285865 0.501946 0.947702 C\n0.214135 0.998054 0.447702 C\n0.714135 0.498054 0.052298 C\n0.490562 0.618762 0.508145 C\n0.990562 0.118762 0.991855 C\n0.509438 0.381238 0.491855 C\n0.009438 0.881238 0.008145 C\n0.614497 0.691804 0.599761 C\n0.114497 0.191804 0.900239 C\n0.385503 0.308196 0.400239 C\n0.885503 0.808196 0.099761 C\n0.607707 0.525468 0.340369 C\n0.107706 0.025468 0.159631 C\n0.392294 0.474532 0.659631 C\n0.892293 0.974532 0.840369 C\n0.873175 0.547403 0.344875 C\n0.373175 0.047403 0.155125 C\n0.126825 0.452597 0.655125 C\n0.626825 0.952597 0.844875 C\n0.483272 0.719392 0.267068 C\n0.983272 0.219392 0.232932 C\n0.516728 0.280608 0.732932 C\n0.016728 0.780608 0.767068 C\n0.607598 0.828671 0.195518 C\n0.107598 0.328671 0.304482 C\n0.392402 0.171329 0.804482 C\n0.892402 0.671329 0.695518 C\n0.173149 0.739517 0.475497 C\n0.673149 0.239517 0.024503 C\n0.826851 0.260483 0.524503 C\n0.326851 0.760483 0.975497 C\n0.025256 0.607528 0.512196 C\n0.525256 0.107528 0.987804 C\n0.974744 0.392472 0.487804 C\n0.474744 0.892472 0.012196 C\n0.173816 0.875372 0.297284 C\n0.673816 0.375372 0.202716 C\n0.826184 0.124628 0.702716 C\n0.326184 0.624628 0.797284 C\n0.020573 0.740523 0.270092 C\n0.520573 0.240523 0.229908 C\n0.979427 0.259477 0.729908 C\n0.479427 0.759477 0.770092 C\n0.614103 0.997210 0.358973 S\n0.114103 0.497210 0.141027 S\n0.385897 0.002790 0.641027 S\n0.885897 0.502790 0.858973 S\n0.830880 0.895281 0.549197 S\n0.330880 0.395281 0.950803 S\n0.169120 0.104719 0.450803 S\n0.669120 0.604719 0.049197 S\n0.555092 0.719523 0.529089 S\n0.055092 0.219523 0.970911 S\n0.444908 0.280477 0.470911 S\n0.944908 0.780477 0.029089 S\n0.730286 0.580371 0.383410 S\n0.230286 0.080371 0.116590 S\n0.269714 0.419629 0.616590 S\n0.769714 0.919629 0.883410 S\n0.553950 0.823016 0.269884 S\n0.053950 0.323016 0.230116 S\n0.446050 0.176984 0.730116 S\n0.946050 0.676984 0.769884 S\n0.005361 0.714706 0.496188 S\n0.505361 0.214706 0.003812 S\n0.994639 0.285294 0.503812 S\n0.494639 0.785294 0.996188 S\n0.001543 0.846739 0.289709 S\n0.501543 0.346739 0.210291 S\n0.998457 0.153261 0.710291 S\n0.498457 0.653261 0.789709 S\n0.488302 0.820636 0.414108 Cl\n0.988302 0.320636 0.085892 Cl\n0.511698 0.179364 0.585892 Cl\n0.011698 0.679364 0.914108 Cl\n0.246585 0.695560 0.638729 Cl\n0.746585 0.195560 0.861271 Cl\n0.753415 0.304440 0.361271 Cl\n0.253415 0.804440 0.138729 Cl\n0.244518 0.534469 0.387359 Cl\n0.744518 0.034469 0.112641 Cl\n0.755482 0.465531 0.612641 Cl\n0.255482 0.965531 0.887359 Cl\n0.769372 0.603082 0.191994 Cl\n0.269372 0.103082 0.308006 Cl\n0.230628 0.396918 0.808006 Cl\n0.730628 0.896918 0.691994 Cl\n0.721577 0.953642 0.394623 O\n0.221577 0.453642 0.105377 O\n0.278423 0.046358 0.605377 O\n0.778423 0.546358 0.894623 O\n0.863203 0.880849 0.483895 O\n0.363203 0.380849 0.016105 O\n0.136797 0.119151 0.516105 O\n0.636797 0.619151 0.983895 O\n0.683546 0.734645 0.492873 O\n0.183546 0.234645 0.007127 O\n0.316454 0.265355 0.507127 O\n0.816454 0.765355 0.992873 O\n0.715885 0.673210 0.366998 O\n0.215885 0.173210 0.133002 O\n0.284115 0.326790 0.633002 O\n0.784115 0.826790 0.866998 O\n0.684585 0.820138 0.305199 O\n0.184585 0.320138 0.194801 O\n0.315415 0.179862 0.694801 O\n0.815415 0.679862 0.805199 O\n0.927203 0.717099 0.438309 O\n0.427203 0.217099 0.061691 O\n0.072797 0.282901 0.561691 O\n0.572797 0.782901 0.938309 O\n0.943611 0.844808 0.352324 O\n0.443611 0.344808 0.147676 O\n0.056389 0.155192 0.647676 O\n0.556389 0.655192 0.852324 O\n","nsites":300,"nelements":6,"elements":["U","H","C","S","Cl","O"],"chemical_system":"C-Cl-H-O-S-U","density":1.6536517202407282,"density_atomic":0.08059013950150341,"volume":3722.5397778893716,"volume_molar":7.472552842382977,"formula_full":"U4 H168 C56 S28 Cl16 O28","formula_reduced":"UH42C14S7Cl4O7","formula_anonymous":"AB4C7D7E14F42","energy":-1560.59253185,"energy_per_atom":-5.201975106166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1531.53253185,"band_gap":0.2225,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.601175,"is_theoretical":false,"updated_at":"2021-11-28T01:36:07.901000Z","spacegroup":14},{"id":"mp-818713","created_at":"2022-09-04T14:43:14.100951Z","structure_string":"V30 As6 O105\n1.0\n-8.599632 8.599632 8.599632\n8.599632 -8.599632 8.599632\n8.599632 8.599632 -8.599632\nV As O\n30 6 105\ndirect\n0.295471 0.000000 0.514851 V\n0.000000 0.295471 0.514851 V\n0.704529 0.704529 0.219379 V\n0.704529 0.219379 0.704529 V\n0.000000 0.514851 0.295471 V\n0.295471 0.514851 0.000000 V\n0.514851 0.000000 0.295471 V\n0.219379 0.704529 0.704529 V\n0.514851 0.295471 0.000000 V\n0.485149 0.780621 0.485149 V\n0.780621 0.485149 0.485149 V\n0.485149 0.485149 0.780621 V\n0.525096 0.217220 0.525096 V\n0.782780 0.307876 0.307876 V\n0.692124 0.474904 0.000000 V\n0.474904 0.692124 0.000000 V\n0.217220 0.525096 0.525096 V\n0.307876 0.782780 0.307876 V\n0.474904 0.000000 0.692124 V\n0.307876 0.307876 0.782780 V\n0.525096 0.525096 0.217220 V\n0.692124 0.000000 0.474904 V\n0.000000 0.692124 0.474904 V\n0.000000 0.474904 0.692124 V\n0.339247 0.000000 0.339247 V\n0.000000 0.339247 0.339247 V\n0.660753 0.660753 0.000000 V\n0.660753 0.000000 0.660753 V\n0.339247 0.339247 0.000000 V\n0.000000 0.660753 0.660753 V\n0.500000 0.250000 0.750000 As\n0.750000 0.250000 0.500000 As\n0.750000 0.500000 0.250000 As\n0.500000 0.750000 0.250000 As\n0.250000 0.500000 0.750000 As\n0.250000 0.750000 0.500000 As\n0.182635 0.000000 0.492613 O\n0.000000 0.182635 0.492613 O\n0.817365 0.817365 0.309978 O\n0.817365 0.309978 0.817365 O\n0.000000 0.492613 0.182635 O\n0.182635 0.492613 0.000000 O\n0.492613 0.000000 0.182635 O\n0.309978 0.817365 0.817365 O\n0.492613 0.182635 0.000000 O\n0.507387 0.690022 0.507387 O\n0.690022 0.507387 0.507387 O\n0.507387 0.507387 0.690022 O\n0.245621 0.000000 0.245621 O\n0.000000 0.245621 0.245621 O\n0.754379 0.754379 0.000000 O\n0.754379 0.000000 0.754379 O\n0.245621 0.245621 0.000000 O\n0.000000 0.754379 0.754379 O\n0.523036 0.323564 0.523036 O\n0.676436 0.199472 0.199472 O\n0.800528 0.476964 0.000000 O\n0.476964 0.800528 0.000000 O\n0.323564 0.523036 0.523036 O\n0.199472 0.676436 0.199472 O\n0.476964 0.000000 0.800528 O\n0.199472 0.199472 0.676436 O\n0.523036 0.523036 0.323564 O\n0.800528 0.000000 0.476964 O\n0.000000 0.800528 0.476964 O\n0.000000 0.476964 0.800528 O\n0.414863 0.108168 0.683228 O\n0.891832 0.306694 0.575060 O\n0.693306 0.585137 0.268366 O\n0.585137 0.693306 0.268366 O\n0.108168 0.414863 0.683228 O\n0.306694 0.891832 0.575060 O\n0.585137 0.268366 0.693306 O\n0.108168 0.683228 0.414863 O\n0.306694 0.575060 0.891832 O\n0.414863 0.683228 0.108168 O\n0.891832 0.575060 0.306694 O\n0.693306 0.268366 0.585137 O\n0.575060 0.891832 0.306694 O\n0.268366 0.693306 0.585137 O\n0.683228 0.414863 0.108168 O\n0.575060 0.306694 0.891832 O\n0.268366 0.585137 0.693306 O\n0.683228 0.108168 0.414863 O\n0.424940 0.731634 0.316772 O\n0.731634 0.316772 0.424940 O\n0.316772 0.424940 0.731634 O\n0.424940 0.316772 0.731634 O\n0.731634 0.424940 0.316772 O\n0.316772 0.731634 0.424940 O\n0.481230 0.106066 0.377381 O\n0.893934 0.375164 0.271315 O\n0.624836 0.518770 0.896150 O\n0.518770 0.624836 0.896150 O\n0.106066 0.481230 0.377381 O\n0.375164 0.893934 0.271315 O\n0.518770 0.896150 0.624836 O\n0.106066 0.377381 0.481230 O\n0.375164 0.271315 0.893934 O\n0.481230 0.377381 0.106066 O\n0.893934 0.271315 0.375164 O\n0.624836 0.896150 0.518770 O\n0.271315 0.893934 0.375164 O\n0.896150 0.624836 0.518770 O\n0.377381 0.481230 0.106066 O\n0.271315 0.375164 0.893934 O\n0.896150 0.518770 0.624836 O\n0.377381 0.106066 0.481230 O\n0.728685 0.103850 0.622619 O\n0.103850 0.622619 0.728685 O\n0.622619 0.728685 0.103850 O\n0.728685 0.622619 0.103850 O\n0.103850 0.728685 0.622619 O\n0.622619 0.103850 0.728685 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.471235 0.277524 0.277524 O\n0.722476 0.193711 0.000000 O\n0.806289 0.528765 0.806289 O\n0.528765 0.806289 0.806289 O\n0.277524 0.471235 0.277524 O\n0.193711 0.722476 0.000000 O\n0.277524 0.277524 0.471235 O\n0.193711 0.000000 0.722476 O\n0.722476 0.000000 0.193711 O\n0.806289 0.806289 0.528765 O\n0.000000 0.722476 0.193711 O\n0.000000 0.193711 0.722476 O\n0.464948 0.345252 0.345252 O\n0.654748 0.119696 0.000000 O\n0.880304 0.535052 0.880304 O\n0.535052 0.880304 0.880304 O\n0.345252 0.464948 0.345252 O\n0.119696 0.654748 0.000000 O\n0.345252 0.345252 0.464948 O\n0.119696 0.000000 0.654748 O\n0.654748 0.000000 0.119696 O\n0.880304 0.880304 0.535052 O\n0.000000 0.654748 0.119696 O\n0.000000 0.119696 0.654748 O\n","nsites":141,"nelements":3,"elements":["V","As","O"],"chemical_system":"As-O-V","density":2.3875856747842037,"density_atomic":0.05542676352958302,"volume":2543.8974066155574,"volume_molar":10.865041320310526,"formula_full":"V30 As6 O105","formula_reduced":"V10As2O35","formula_anonymous":"A2B10C35","energy":-1019.34443801,"energy_per_atom":-7.229393177375886,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-951.43943801,"band_gap":1.3841,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":49.1006609,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.100000Z","spacegroup":217},{"id":"mp-27345","created_at":"2022-09-04T14:43:14.122260Z","structure_string":"Na6 Bi2 O8\n1.0\n6.803177 0.000000 0.000000\n0.000000 5.758444 0.000000\n0.000000 2.037390 5.600768\nNa Bi O\n6 2 8\ndirect\n0.617573 0.250000 0.000000 Na\n0.605233 0.750000 0.500000 Na\n0.871218 0.250000 0.500000 Na\n0.128782 0.750000 0.500000 Na\n0.382427 0.750000 0.000000 Na\n0.394767 0.250000 0.500000 Na\n0.135932 0.250000 0.000000 Bi\n0.864068 0.750000 0.000000 Bi\n0.345674 0.032314 0.236875 O\n0.345674 0.467686 0.763125 O\n0.654326 0.967686 0.763125 O\n0.654326 0.532314 0.236875 O\n0.101407 0.499859 0.208667 O\n0.101407 0.000141 0.791333 O\n0.898593 0.999859 0.208667 O\n0.898593 0.500141 0.791333 O\n","nsites":16,"nelements":3,"elements":["Na","Bi","O"],"chemical_system":"Bi-Na-O","density":5.175755838315308,"density_atomic":0.07292148116126072,"volume":219.41408409707321,"volume_molar":8.258390619744079,"formula_full":"Na6 Bi2 O8","formula_reduced":"Na3BiO4","formula_anonymous":"AB3C4","energy":-82.93391308,"energy_per_atom":-5.1833695675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.43791308,"band_gap":0.9732,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:36:06.120000Z","spacegroup":13},{"id":"mp-1204199","created_at":"2022-09-04T14:42:58.901220Z","structure_string":"K16 Cd8 S16 O76\n1.0\n9.798712 0.000000 0.000000\n0.000000 9.896972 0.000000\n0.000000 4.244851 19.747465\nK Cd S O\n16 8 16 76\ndirect\n0.796063 0.599087 0.555015 K\n0.703937 0.599087 0.055015 K\n0.203937 0.400913 0.444985 K\n0.296063 0.400913 0.944985 K\n0.963456 0.945277 0.768048 K\n0.536544 0.945277 0.268048 K\n0.036544 0.054723 0.231952 K\n0.463456 0.054723 0.731952 K\n0.269456 0.949687 0.928533 K\n0.230544 0.949687 0.428533 K\n0.730544 0.050313 0.071467 K\n0.769456 0.050313 0.571467 K\n0.093800 0.266789 0.625079 K\n0.406200 0.266789 0.125079 K\n0.906200 0.733211 0.374921 K\n0.593800 0.733211 0.874921 K\n0.480329 0.567545 0.221034 Cd\n0.019671 0.567545 0.721034 Cd\n0.519671 0.432455 0.778966 Cd\n0.980329 0.432455 0.278966 Cd\n0.062442 0.788805 0.099334 Cd\n0.437558 0.788805 0.599334 Cd\n0.937558 0.211195 0.900666 Cd\n0.562442 0.211195 0.400666 Cd\n0.884847 0.858843 0.944261 S\n0.615153 0.858843 0.444261 S\n0.115153 0.141157 0.055739 S\n0.384847 0.141157 0.555739 S\n0.207516 0.258769 0.787094 S\n0.292484 0.258769 0.287094 S\n0.792484 0.741231 0.212906 S\n0.707516 0.741231 0.712906 S\n0.798853 0.276093 0.724899 S\n0.701147 0.276093 0.224899 S\n0.201147 0.723907 0.275101 S\n0.298853 0.723907 0.775101 S\n0.358146 0.646358 0.051549 S\n0.141854 0.646358 0.551549 S\n0.641854 0.353642 0.948451 S\n0.858146 0.353642 0.448451 S\n0.153526 0.259325 0.856957 O\n0.346474 0.259325 0.356957 O\n0.846474 0.740675 0.143043 O\n0.653526 0.740675 0.643043 O\n0.028160 0.498332 0.137295 O\n0.471840 0.498332 0.637295 O\n0.971840 0.501668 0.862705 O\n0.528160 0.501668 0.362705 O\n0.742675 0.237086 0.950546 O\n0.757325 0.237086 0.450546 O\n0.257325 0.762914 0.049454 O\n0.242675 0.762914 0.549454 O\n0.168014 0.131448 0.765204 O\n0.331986 0.131448 0.265204 O\n0.831986 0.868552 0.234796 O\n0.668014 0.868552 0.734796 O\n0.977942 0.982097 0.922786 O\n0.522058 0.982097 0.422786 O\n0.022058 0.017903 0.077214 O\n0.477942 0.017903 0.577214 O\n0.752335 0.899219 0.971875 O\n0.747665 0.899219 0.471875 O\n0.247665 0.100781 0.028125 O\n0.252335 0.100781 0.528125 O\n0.646232 0.287064 0.730636 O\n0.853768 0.287064 0.230636 O\n0.353768 0.712936 0.269364 O\n0.146232 0.712936 0.769364 O\n0.954727 0.758090 0.999960 O\n0.545273 0.758090 0.499960 O\n0.045273 0.241910 0.000040 O\n0.454727 0.241910 0.500040 O\n0.860478 0.795393 0.885825 O\n0.639522 0.795393 0.385825 O\n0.139522 0.204607 0.114175 O\n0.360478 0.204607 0.614175 O\n0.859054 0.222452 0.793077 O\n0.640946 0.222452 0.293077 O\n0.140946 0.777548 0.206923 O\n0.359054 0.777548 0.706923 O\n0.437418 0.677997 0.987678 O\n0.062582 0.677997 0.487678 O\n0.562582 0.322003 0.012322 O\n0.937418 0.322003 0.512322 O\n0.056253 0.984021 0.606179 O\n0.443747 0.984021 0.106179 O\n0.943747 0.015979 0.393821 O\n0.556253 0.015979 0.893821 O\n0.355597 0.583554 0.805519 O\n0.144403 0.583554 0.305519 O\n0.644403 0.416446 0.194481 O\n0.855597 0.416446 0.694481 O\n0.360197 0.263787 0.790461 O\n0.139803 0.263787 0.290461 O\n0.639803 0.736213 0.209539 O\n0.860197 0.736213 0.709539 O\n0.330308 0.821018 0.819670 O\n0.169692 0.821018 0.319670 O\n0.669692 0.178982 0.180330 O\n0.830308 0.178982 0.680330 O\n0.213389 0.512767 0.560251 O\n0.286611 0.512767 0.060251 O\n0.786611 0.487233 0.439749 O\n0.713389 0.487233 0.939749 O\n0.157954 0.382654 0.737434 O\n0.342046 0.382654 0.237434 O\n0.842046 0.617346 0.262566 O\n0.657954 0.617346 0.762566 O\n0.035249 0.562177 0.900708 O\n0.464751 0.562177 0.400708 O\n0.964751 0.437823 0.099292 O\n0.535249 0.437823 0.599292 O\n0.044528 0.645675 0.609198 O\n0.455472 0.645675 0.109198 O\n0.955472 0.354325 0.390802 O\n0.544528 0.354325 0.890802 O\n","nsites":116,"nelements":4,"elements":["K","Cd","S","O"],"chemical_system":"Cd-K-O-S","density":2.8213998073089988,"density_atomic":0.06057247252870713,"volume":1915.061333265273,"volume_molar":9.942042166342024,"formula_full":"K16 Cd8 S16 O76","formula_reduced":"K4Cd2S4O19","formula_anonymous":"A2B4C4D19","energy":-638.71364916,"energy_per_atom":-5.506152147931035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-626.47764916,"band_gap":0.0249,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.8349229,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.643000Z","spacegroup":14},{"id":"mp-1198900","created_at":"2022-09-04T14:44:24.787365Z","structure_string":"Cd4 Sb20 O4 F112\n1.0\n12.783749 0.000000 0.000000\n0.000000 10.231649 0.000000\n0.000000 2.666872 18.411364\nCd Sb O F\n4 20 4 112\ndirect\n0.643048 0.695072 0.260438 Cd\n0.143048 0.804928 0.739562 Cd\n0.356952 0.304928 0.739562 Cd\n0.856952 0.195072 0.260438 Cd\n0.719226 0.473784 0.096263 Sb\n0.219226 0.026216 0.903737 Sb\n0.280774 0.526216 0.903737 Sb\n0.780774 0.973784 0.096263 Sb\n0.759832 0.403528 0.430405 Sb\n0.259832 0.096472 0.569595 Sb\n0.240168 0.596472 0.569595 Sb\n0.740168 0.903528 0.430405 Sb\n0.368841 0.741740 0.138975 Sb\n0.868841 0.758260 0.861025 Sb\n0.631159 0.258260 0.861025 Sb\n0.131159 0.241740 0.138975 Sb\n0.397888 0.559311 0.338459 Sb\n0.897888 0.940689 0.661541 Sb\n0.602112 0.440689 0.661541 Sb\n0.102112 0.059311 0.338459 Sb\n0.963354 0.589916 0.292008 Sb\n0.463354 0.910084 0.707992 Sb\n0.036646 0.410084 0.707992 Sb\n0.536646 0.089916 0.292008 Sb\n0.951569 0.325864 0.938164 O\n0.451569 0.174136 0.061836 O\n0.048431 0.674136 0.061836 O\n0.548431 0.825864 0.938164 O\n0.359068 0.913780 0.165122 F\n0.859068 0.586220 0.834878 F\n0.640932 0.086220 0.834878 F\n0.140932 0.413780 0.165122 F\n0.830935 0.674312 0.264807 F\n0.330935 0.825688 0.735193 F\n0.169065 0.325688 0.735193 F\n0.669065 0.174312 0.264807 F\n0.642172 0.303485 0.463649 F\n0.142172 0.196515 0.536351 F\n0.357828 0.696515 0.536351 F\n0.857828 0.803485 0.463649 F\n0.380944 0.563903 0.125010 F\n0.880944 0.936097 0.874990 F\n0.619056 0.436097 0.874990 F\n0.119056 0.063903 0.125010 F\n0.673912 0.534627 0.186007 F\n0.173912 0.965373 0.813993 F\n0.326088 0.465373 0.813993 F\n0.826088 0.034627 0.186007 F\n0.685983 0.504765 0.349823 F\n0.185983 0.995235 0.650177 F\n0.314017 0.495235 0.650177 F\n0.814017 0.004765 0.349823 F\n0.593953 0.372958 0.095012 F\n0.093953 0.127042 0.904988 F\n0.406047 0.627042 0.904988 F\n0.906047 0.872958 0.095012 F\n0.887944 0.511052 0.385759 F\n0.387944 0.988948 0.614241 F\n0.112056 0.488948 0.614241 F\n0.612056 0.011052 0.385759 F\n0.845416 0.571353 0.102358 F\n0.345416 0.928647 0.897642 F\n0.154584 0.428647 0.897642 F\n0.654584 0.071353 0.102358 F\n0.770832 0.407129 0.011809 F\n0.270832 0.092871 0.988191 F\n0.229168 0.592871 0.988191 F\n0.729168 0.907129 0.011809 F\n0.025289 0.664439 0.202237 F\n0.525289 0.835561 0.797763 F\n0.974711 0.335561 0.797763 F\n0.474711 0.164439 0.202237 F\n0.781895 0.324223 0.157659 F\n0.281895 0.175777 0.842341 F\n0.218105 0.675777 0.842341 F\n0.718105 0.824223 0.157659 F\n0.996480 0.731841 0.341755 F\n0.496480 0.768159 0.658245 F\n0.003520 0.268159 0.658245 F\n0.503520 0.231841 0.341755 F\n0.080724 0.492173 0.328429 F\n0.580724 0.007827 0.671571 F\n0.919276 0.507827 0.671571 F\n0.419276 0.992173 0.328429 F\n0.909691 0.438328 0.253603 F\n0.409691 0.061672 0.746397 F\n0.090309 0.561672 0.746397 F\n0.590309 0.938328 0.253603 F\n0.513192 0.739631 0.170985 F\n0.013192 0.760369 0.829015 F\n0.486808 0.260369 0.829015 F\n0.986808 0.239631 0.170985 F\n0.497838 0.504460 0.271746 F\n0.997838 0.995540 0.728254 F\n0.502162 0.495540 0.728254 F\n0.002162 0.004460 0.271746 F\n0.458907 0.468994 0.423022 F\n0.958907 0.031006 0.576978 F\n0.541093 0.531006 0.576978 F\n0.041093 0.968994 0.423022 F\n0.298700 0.655163 0.384188 F\n0.798700 0.844837 0.615812 F\n0.701300 0.344837 0.615812 F\n0.201300 0.155163 0.384188 F\n0.221842 0.743124 0.120936 F\n0.721842 0.756876 0.879064 F\n0.778158 0.256876 0.879064 F\n0.278158 0.243124 0.120936 F\n0.859033 0.317768 0.495439 F\n0.359033 0.182232 0.504561 F\n0.140967 0.682232 0.504561 F\n0.640967 0.817768 0.495439 F\n0.794271 0.284003 0.361777 F\n0.294271 0.215997 0.638223 F\n0.205729 0.715997 0.638223 F\n0.705729 0.784003 0.361777 F\n0.496206 0.707028 0.334928 F\n0.996206 0.792972 0.665072 F\n0.503794 0.292972 0.665072 F\n0.003794 0.207028 0.334928 F\n0.334746 0.673383 0.244738 F\n0.834746 0.826617 0.755262 F\n0.665254 0.326617 0.755262 F\n0.165254 0.173383 0.244738 F\n0.652396 0.621753 0.041177 F\n0.152396 0.878247 0.958823 F\n0.347604 0.378247 0.958823 F\n0.847604 0.121753 0.041177 F\n0.740670 0.544814 0.483948 F\n0.240670 0.955186 0.516052 F\n0.259330 0.455186 0.516052 F\n0.759330 0.044814 0.483948 F\n0.304102 0.426808 0.319486 F\n0.804102 0.073192 0.680514 F\n0.695898 0.573192 0.680514 F\n0.195898 0.926808 0.319486 F\n0.410147 0.809994 0.041913 F\n0.910147 0.690006 0.958087 F\n0.589853 0.190006 0.958087 F\n0.089853 0.309994 0.041913 F\n","nsites":140,"nelements":4,"elements":["Cd","Sb","O","F"],"chemical_system":"Cd-F-O-Sb","density":3.5005604309751326,"density_atomic":0.058135070479660274,"volume":2408.1849191011443,"volume_molar":10.35887754209736,"formula_full":"Cd4 Sb20 O4 F112","formula_reduced":"CdSb5OF28","formula_anonymous":"ABC5D28","energy":-663.2716096199999,"energy_per_atom":-4.737654354428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-608.77960962,"band_gap":0.0242,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.850886,"is_theoretical":false,"updated_at":"2021-11-28T01:36:41.992000Z","spacegroup":14},{"id":"mp-1345720","created_at":"2022-09-04T14:42:59.201645Z","structure_string":"Ca4 Sb8 O16\n1.0\n3.232969 0.000000 0.000000\n0.000000 10.016107 0.000000\n0.000000 0.000000 13.535506\nCa Sb O\n4 8 16\ndirect\n0.750000 0.737383 0.854259 Ca\n0.250000 0.262617 0.145741 Ca\n0.750000 0.237383 0.645741 Ca\n0.250000 0.762617 0.354259 Ca\n0.250000 0.917985 0.606791 Sb\n0.750000 0.582015 0.106791 Sb\n0.250000 0.417985 0.893209 Sb\n0.750000 0.082015 0.393209 Sb\n0.750000 0.066756 0.851612 Sb\n0.250000 0.933244 0.148388 Sb\n0.750000 0.566756 0.648388 Sb\n0.250000 0.433244 0.351612 Sb\n0.250000 0.418817 0.629945 O\n0.750000 0.581183 0.370055 O\n0.250000 0.918817 0.870055 O\n0.750000 0.081183 0.129945 O\n0.250000 0.533622 0.202181 O\n0.750000 0.466378 0.797819 O\n0.250000 0.033622 0.297819 O\n0.750000 0.966378 0.702181 O\n0.250000 0.104413 0.554462 O\n0.750000 0.895587 0.445538 O\n0.250000 0.604413 0.945538 O\n0.750000 0.395587 0.054462 O\n0.750000 0.328300 0.269526 O\n0.250000 0.671700 0.730474 O\n0.250000 0.171700 0.769526 O\n0.750000 0.828300 0.230474 O\n","nsites":28,"nelements":3,"elements":["Ca","Sb","O"],"chemical_system":"Ca-O-Sb","density":5.267546374540898,"density_atomic":0.0638826671476646,"volume":438.3035532201258,"volume_molar":9.426877475356246,"formula_full":"Ca4 Sb8 O16","formula_reduced":"Ca(SbO2)2","formula_anonymous":"AB2C4","energy":-178.54422345999998,"energy_per_atom":-6.376579409285713,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.55222346,"band_gap":1.675599999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004898,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.888000Z","spacegroup":62},{"id":"mp-1211062","created_at":"2022-09-04T14:43:14.139890Z","structure_string":"Mn4 O16 F8\n1.0\n5.480284 0.000000 0.000000\n0.000000 6.900355 0.000000\n0.000000 0.000000 12.189837\nMn O F\n4 16 8\ndirect\n0.256429 0.181932 0.148785 Mn\n0.743571 0.681932 0.851215 Mn\n0.743571 0.181932 0.648785 Mn\n0.256429 0.681932 0.351215 Mn\n0.070885 0.918577 0.165096 O\n0.929115 0.418577 0.834904 O\n0.929115 0.918577 0.665096 O\n0.070885 0.418577 0.334904 O\n0.583604 0.470959 0.097265 O\n0.416396 0.970959 0.902735 O\n0.416396 0.470959 0.597265 O\n0.583604 0.970959 0.402735 O\n0.591789 0.137254 0.438753 O\n0.408211 0.637254 0.561247 O\n0.408211 0.137254 0.938753 O\n0.591789 0.637254 0.061247 O\n0.193414 0.266331 0.309951 O\n0.806586 0.766331 0.690049 O\n0.806586 0.266331 0.809951 O\n0.193414 0.766331 0.190049 O\n0.550991 0.063780 0.176363 F\n0.449009 0.563780 0.823637 F\n0.449009 0.063780 0.676363 F\n0.550991 0.563780 0.323637 F\n0.044986 0.348167 0.080350 F\n0.955014 0.848167 0.919650 F\n0.955014 0.348167 0.580350 F\n0.044986 0.848167 0.419650 F\n","nsites":28,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":2.2612545294897775,"density_atomic":0.06074151692526655,"volume":460.96971918646443,"volume_molar":9.914373339423435,"formula_full":"Mn4 O16 F8","formula_reduced":"Mn(O2F)2","formula_anonymous":"AB2C4","energy":-161.72410681,"energy_per_atom":-5.7758609575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.78010681,"band_gap":0.7807,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.552000Z","spacegroup":29},{"id":"mp-1194314","created_at":"2022-09-04T14:43:14.343121Z","structure_string":"Sr4 Ho8 S16\n1.0\n3.977216 0.000000 0.000000\n0.000000 12.047466 0.000000\n0.000000 0.000000 14.315852\nSr Ho S\n4 8 16\ndirect\n0.250000 0.760401 0.335430 Sr\n0.250000 0.260401 0.164570 Sr\n0.750000 0.239599 0.664570 Sr\n0.750000 0.739599 0.835430 Sr\n0.250000 0.436944 0.389776 Ho\n0.250000 0.936944 0.110224 Ho\n0.750000 0.563056 0.610224 Ho\n0.750000 0.063056 0.889776 Ho\n0.250000 0.416875 0.900587 Ho\n0.250000 0.916875 0.599413 Ho\n0.750000 0.583125 0.099413 Ho\n0.750000 0.083125 0.400587 Ho\n0.250000 0.204369 0.828623 S\n0.250000 0.704369 0.671377 S\n0.750000 0.795631 0.171377 S\n0.750000 0.295631 0.328623 S\n0.250000 0.127994 0.529201 S\n0.250000 0.627994 0.970799 S\n0.750000 0.872006 0.470799 S\n0.750000 0.372006 0.029201 S\n0.250000 0.026983 0.284425 S\n0.250000 0.526983 0.215575 S\n0.750000 0.973017 0.715575 S\n0.750000 0.473017 0.784425 S\n0.250000 0.411958 0.577397 S\n0.250000 0.911958 0.922603 S\n0.750000 0.588042 0.422603 S\n0.750000 0.088042 0.077397 S\n","nsites":28,"nelements":3,"elements":["Sr","Ho","S"],"chemical_system":"Ho-S-Sr","density":5.284492641940517,"density_atomic":0.0408193367863596,"volume":685.949410362704,"volume_molar":14.753156798011451,"formula_full":"Sr4 Ho8 S16","formula_reduced":"Sr(HoS2)2","formula_anonymous":"AB2C4","energy":-177.22029282,"energy_per_atom":-6.329296172142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.17229282,"band_gap":1.8256,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0026558,"is_theoretical":false,"updated_at":"2021-11-28T01:36:07.155000Z","spacegroup":62},{"id":"mp-5639","created_at":"2022-09-04T14:43:14.276982Z","structure_string":"Mg4 Si2 O8\n1.0\n0.000000 4.076690 4.076690\n4.076690 0.000000 4.076690\n4.076690 4.076690 0.000000\nMg Si O\n4 2 8\ndirect\n0.625000 0.625000 0.125000 Mg\n0.625000 0.125000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Si\n0.880935 0.880935 0.357194 O\n0.880935 0.357194 0.880935 O\n0.357194 0.880935 0.880935 O\n0.880935 0.880935 0.880935 O\n0.369065 0.369065 0.892806 O\n0.369065 0.892806 0.369065 O\n0.892806 0.369065 0.369065 O\n0.369065 0.369065 0.369065 O\n","nsites":14,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.4482506933238994,"density_atomic":0.10331775858729564,"volume":135.50429462879865,"volume_molar":5.828756684565267,"formula_full":"Mg4 Si2 O8","formula_reduced":"Mg2SiO4","formula_anonymous":"AB2C4","energy":-100.9360797,"energy_per_atom":-7.209719978571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.4400797,"band_gap":4.7454,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001066,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.280000Z","spacegroup":227},{"id":"mp-753804","created_at":"2022-09-04T14:43:14.933616Z","structure_string":"Li1 Co2 P2 O8\n1.0\n3.890212 3.380851 0.000000\n-3.890212 3.380851 0.000000\n0.000000 0.007077 6.870613\nLi Co P O\n1 2 2 8\ndirect\n0.497453 0.502547 0.000000 Li\n0.002693 0.997307 0.000000 Co\n0.500628 0.499372 0.500000 Co\n0.499220 0.000130 0.248912 P\n0.999870 0.500780 0.751088 P\n0.696656 0.445438 0.746936 O\n0.095611 0.796994 0.794429 O\n0.098444 0.352784 0.933659 O\n0.578706 0.874065 0.436088 O\n0.647216 0.901556 0.066341 O\n0.125935 0.421294 0.563912 O\n0.203006 0.904389 0.205571 O\n0.554562 0.303344 0.253064 O\n","nsites":13,"nelements":4,"elements":["Li","Co","P","O"],"chemical_system":"Co-Li-O-P","density":2.8919462099703175,"density_atomic":0.07193140936765711,"volume":180.72772540232273,"volume_molar":8.37206001236473,"formula_full":"Li1 Co2 P2 O8","formula_reduced":"LiCo2(PO4)2","formula_anonymous":"AB2C2D8","energy":-95.63689263,"energy_per_atom":-7.356684048461539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.86489263,"band_gap":0.5239,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.0000006,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.500000Z","spacegroup":5}]}