{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12164","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-total_magnetization&page=12162","results":[{"id":"mp-684109","created_at":"2022-09-04T14:47:16.412105Z","structure_string":"Li4 Bi4 P8 O28\n1.0\n4.493612 5.082231 0.000000\n-4.493612 5.082231 0.000000\n0.000000 4.672597 13.141672\nLi Bi P O\n4 4 8 28\ndirect\n0.995279 0.770663 0.624620 Li\n0.770663 0.995279 0.124620 Li\n0.229337 0.004721 0.875380 Li\n0.004721 0.229337 0.375380 Li\n0.861187 0.395052 0.859312 Bi\n0.138813 0.604948 0.140688 Bi\n0.395052 0.861187 0.359312 Bi\n0.604948 0.138813 0.640688 Bi\n0.415171 0.321332 0.427974 P\n0.321332 0.415171 0.927974 P\n0.584829 0.678668 0.572026 P\n0.110692 0.252297 0.628887 P\n0.678668 0.584829 0.072026 P\n0.252297 0.110692 0.128887 P\n0.889308 0.747703 0.371113 P\n0.747703 0.889308 0.871113 P\n0.194631 0.299094 0.885593 O\n0.123191 0.976464 0.097255 O\n0.989975 0.423483 0.677845 O\n0.202448 0.599478 0.967011 O\n0.010025 0.576517 0.322155 O\n0.113862 0.251117 0.193563 O\n0.400522 0.797552 0.532989 O\n0.797552 0.400522 0.032989 O\n0.470988 0.524115 0.356223 O\n0.748883 0.886138 0.306437 O\n0.299094 0.194631 0.385593 O\n0.976464 0.123191 0.597255 O\n0.700906 0.805369 0.614407 O\n0.876809 0.023536 0.902745 O\n0.524115 0.470988 0.856223 O\n0.529012 0.475885 0.643777 O\n0.380797 0.251758 0.026245 O\n0.251758 0.380797 0.526245 O\n0.023536 0.876809 0.402745 O\n0.423483 0.989975 0.177845 O\n0.251117 0.113862 0.693563 O\n0.748242 0.619203 0.473755 O\n0.805369 0.700906 0.114407 O\n0.619203 0.748242 0.973755 O\n0.599478 0.202448 0.467011 O\n0.576517 0.010025 0.822155 O\n0.475885 0.529012 0.143777 O\n0.886138 0.748883 0.806437 O\n","nsites":44,"nelements":4,"elements":["Li","Bi","P","O"],"chemical_system":"Bi-Li-O-P","density":4.314122163223313,"density_atomic":0.07330305684419701,"volume":600.247819044169,"volume_molar":8.215401948106805,"formula_full":"Li4 Bi4 P8 O28","formula_reduced":"LiBiP2O7","formula_anonymous":"ABC2D7","energy":-315.06700934,"energy_per_atom":-7.160613848636364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.83100934,"band_gap":3.9042,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.095000Z","spacegroup":15},{"id":"mp-19114","created_at":"2022-09-04T14:47:16.786478Z","structure_string":"Ca4 Ni2 W2 O12\n1.0\n5.454043 -0.000026 -0.033831\n-0.000024 5.645388 0.000059\n-0.023957 0.000087 7.789336\nCa Ni W O\n4 2 2 12\ndirect\n0.985492 0.055408 0.253374 Ca\n0.514509 0.555404 0.246600 Ca\n0.014509 0.944592 0.746626 Ca\n0.485490 0.444596 0.753400 Ca\n0.000001 0.500000 0.500000 Ni\n0.500001 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.690377 0.284504 0.446546 O\n0.809596 0.784476 0.053434 O\n0.309623 0.715496 0.553454 O\n0.190404 0.215524 0.946566 O\n0.210679 0.194025 0.545184 O\n0.289289 0.694067 0.954834 O\n0.789321 0.805975 0.454815 O\n0.710711 0.305933 0.045166 O\n0.095529 0.468056 0.241262 O\n0.404515 0.968069 0.258752 O\n0.595486 0.031931 0.741248 O\n0.904472 0.531944 0.758738 O\n","nsites":20,"nelements":4,"elements":["Ca","Ni","W","O"],"chemical_system":"Ca-Ni-O-W","density":5.797794515487968,"density_atomic":0.08339221125218595,"volume":239.8305513151355,"volume_molar":7.221466692840746,"formula_full":"Ca4 Ni2 W2 O12","formula_reduced":"Ca2NiWO6","formula_anonymous":"ABC2D6","energy":-157.03808286,"energy_per_atom":-7.8519041430000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.83608286,"band_gap":2.9330000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:00.192000Z","spacegroup":14},{"id":"mp-1197562","created_at":"2022-09-04T14:47:10.412363Z","structure_string":"Pr8 B8 O22 F4\n1.0\n2.384195 7.044852 0.000000\n-2.384195 7.044852 0.000000\n0.000000 0.246567 14.123433\nPr B O F\n8 8 22 4\ndirect\n0.466129 0.416946 0.370779 Pr\n0.583054 0.533871 0.129221 Pr\n0.533871 0.583054 0.629221 Pr\n0.416946 0.466129 0.870779 Pr\n0.742113 0.699774 0.371794 Pr\n0.300226 0.257888 0.128206 Pr\n0.257887 0.300226 0.628206 Pr\n0.699774 0.742112 0.871794 Pr\n0.073197 0.111443 0.284938 B\n0.888557 0.926803 0.215062 B\n0.926803 0.888557 0.715062 B\n0.111443 0.073197 0.784938 B\n0.857124 0.954766 0.527212 B\n0.045234 0.142876 0.972788 B\n0.142876 0.045234 0.472788 B\n0.954766 0.857124 0.027212 B\n0.963489 0.211759 0.392373 O\n0.788241 0.036511 0.107627 O\n0.036511 0.788241 0.607627 O\n0.211759 0.963489 0.892373 O\n0.648261 0.011139 0.257290 O\n0.988861 0.351739 0.242710 O\n0.351739 0.988861 0.742710 O\n0.011139 0.648261 0.757290 O\n0.586837 0.253611 0.537110 O\n0.746389 0.413163 0.962890 O\n0.413163 0.746389 0.462890 O\n0.253611 0.586837 0.037110 O\n0.857999 0.142001 0.250000 O\n0.142001 0.857999 0.750000 O\n0.944212 0.830752 0.439049 O\n0.169248 0.055788 0.060951 O\n0.055788 0.169248 0.560951 O\n0.830752 0.944212 0.939049 O\n0.376677 0.823338 0.274433 O\n0.176662 0.623323 0.225567 O\n0.623323 0.176662 0.725567 O\n0.823338 0.376677 0.774433 O\n0.292325 0.246823 0.425424 F\n0.753177 0.707675 0.074576 F\n0.707675 0.753177 0.574576 F\n0.246823 0.292325 0.925424 F\n","nsites":42,"nelements":4,"elements":["Pr","B","O","F"],"chemical_system":"B-F-O-Pr","density":5.746015762263444,"density_atomic":0.08852488557258652,"volume":474.44286121739003,"volume_molar":6.8027659353054,"formula_full":"Pr8 B8 O22 F4","formula_reduced":"Pr4B4O11F2","formula_anonymous":"A2B4C4D11","energy":-356.00363281000006,"energy_per_atom":-8.476276971666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-339.04163281,"band_gap":5.0600000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.145000Z","spacegroup":15},{"id":"mp-1519738","created_at":"2022-09-04T14:47:11.709088Z","structure_string":"Ba1 Sr1 Ca1 Se1 O6\n1.0\n0.000000 -4.179739 -4.179739\n4.179739 0.000000 -4.179739\n4.179739 -4.179739 0.000000\nBa Sr Ca Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 0.000000 Se\n0.781631 0.218369 0.218369 O\n0.218369 0.781631 0.781631 O\n0.781631 0.218369 0.781631 O\n0.218369 0.781631 0.218369 O\n0.781631 0.781631 0.218369 O\n0.218369 0.218369 0.781631 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Ca","Se","O"],"chemical_system":"Ba-Ca-O-Se-Sr","density":5.002716916285587,"density_atomic":0.06847349788585658,"volume":146.04190393003907,"volume_molar":8.794849023250926,"formula_full":"Ba1 Sr1 Ca1 Se1 O6","formula_reduced":"BaSrCaSeO6","formula_anonymous":"ABCDE6","energy":-62.85530492,"energy_per_atom":-6.285530492,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-58.73330492,"band_gap":2.4917,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.891000Z","spacegroup":216},{"id":"mp-1519896","created_at":"2022-09-04T14:47:15.310542Z","structure_string":"Sr8 Pr4 Sb4 O24\n1.0\n8.531406 0.000000 0.000000\n0.000000 8.531406 -0.000000\n0.000000 -0.000000 8.531406\nSr Pr Sb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n-0.000000 -0.000000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Pr\n0.750000 0.250000 0.250000 Pr\n0.250000 0.750000 0.250000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.250000 0.250000 Sb\n0.250000 0.750000 0.750000 Sb\n0.750000 0.250000 0.750000 Sb\n0.750000 0.750000 0.250000 Sb\n0.215175 0.293103 0.479990 O\n0.215175 0.706897 0.520010 O\n0.784825 0.293103 0.520010 O\n0.784825 0.706897 0.479990 O\n0.293103 0.479990 0.215175 O\n0.706897 0.520010 0.215175 O\n0.293103 0.520010 0.784825 O\n0.706897 0.479990 0.784825 O\n0.479990 0.215175 0.293103 O\n0.520010 0.215175 0.706897 O\n0.520010 0.784825 0.293103 O\n0.479990 0.784825 0.706897 O\n0.284825 0.206897 0.020010 O\n0.284825 0.793103 0.979990 O\n0.715175 0.206897 0.979990 O\n0.715175 0.793103 0.020010 O\n0.206897 0.020010 0.284825 O\n0.793103 0.979990 0.284825 O\n0.206897 0.979990 0.715175 O\n0.793103 0.020010 0.715175 O\n0.020010 0.284825 0.206897 O\n0.979990 0.284825 0.793103 O\n0.979990 0.715175 0.206897 O\n0.020010 0.715175 0.793103 O\n","nsites":40,"nelements":4,"elements":["Sr","Pr","Sb","O"],"chemical_system":"O-Pr-Sb-Sr","density":5.7109778263749345,"density_atomic":0.06441665381551975,"volume":620.9574330662127,"volume_molar":9.348732669732529,"formula_full":"Sr8 Pr4 Sb4 O24","formula_reduced":"Sr2PrSbO6","formula_anonymous":"ABC2D6","energy":-287.14197771,"energy_per_atom":-7.17854944275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.65397771,"band_gap":3.4763,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.617000Z","spacegroup":201},{"id":"mp-1031151","created_at":"2022-09-04T14:47:15.315713Z","structure_string":"Li1 Mg6 B1 O8\n1.0\n8.100869 0.000000 -0.000000\n0.000000 4.274476 -0.000000\n-0.000000 0.000000 4.274476\nLi Mg B O\n1 6 1 8\ndirect\n-0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253977 -0.000000 0.500000 Mg\n0.746023 0.000000 0.500000 Mg\n0.253977 0.500000 0.000000 Mg\n0.746023 0.500000 -0.000000 Mg\n0.500000 0.000000 0.000000 B\n0.321735 -0.000000 0.000000 O\n0.678265 0.000000 -0.000000 O\n0.250020 0.500000 0.500000 O\n0.749980 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Li","Mg","B","O"],"chemical_system":"B-Li-Mg-O","density":3.2711863357321076,"density_atomic":0.10809923175214034,"volume":148.0121527291354,"volume_molar":5.570937612034197,"formula_full":"Li1 Mg6 B1 O8","formula_reduced":"LiMg6BO8","formula_anonymous":"ABC6D8","energy":-101.33983131,"energy_per_atom":-6.333739456875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.84383131,"band_gap":5.5009,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.688000Z","spacegroup":123},{"id":"mp-1204115","created_at":"2022-09-04T14:47:10.392757Z","structure_string":"Cd8 H72 C32 O68\n1.0\n-7.067156 0.000000 1.169430\n-0.020240 0.000000 -16.329076\n0.000000 -16.219973 0.000000\nCd H C O\n8 72 32 68\ndirect\n0.511816 0.551269 0.243598 Cd\n0.011816 0.051269 0.256402 Cd\n0.488184 0.448731 0.756402 Cd\n0.988184 0.948731 0.743598 Cd\n0.475780 0.751726 0.549498 Cd\n0.975780 0.251726 0.950502 Cd\n0.524220 0.248274 0.450502 Cd\n0.024220 0.748274 0.049498 Cd\n0.875597 0.829574 0.510668 H\n0.375597 0.329574 0.989332 H\n0.124403 0.170426 0.489332 H\n0.624403 0.670426 0.010668 H\n0.867396 0.802862 0.606489 H\n0.367396 0.302862 0.893511 H\n0.132604 0.197138 0.393511 H\n0.632604 0.697138 0.106489 H\n0.088294 0.689868 0.487155 H\n0.588294 0.189868 0.012845 H\n0.911706 0.310132 0.512845 H\n0.411706 0.810132 0.987155 H\n0.075422 0.666975 0.584953 H\n0.575422 0.166975 0.915047 H\n0.924578 0.333025 0.415047 H\n0.424578 0.833025 0.084953 H\n0.529214 0.600704 0.618494 H\n0.029214 0.100704 0.881506 H\n0.470786 0.399296 0.381506 H\n0.970786 0.899296 0.118494 H\n0.437176 0.580829 0.529988 H\n0.937176 0.080829 0.970012 H\n0.562824 0.419171 0.470012 H\n0.062824 0.919171 0.029988 H\n0.428736 0.902655 0.467763 H\n0.928736 0.402655 0.032237 H\n0.571264 0.097345 0.532237 H\n0.071264 0.597345 0.967763 H\n0.273351 0.894626 0.538643 H\n0.773351 0.394626 0.961357 H\n0.726649 0.105374 0.461357 H\n0.226649 0.605374 0.038643 H\n0.784949 0.611485 0.369041 H\n0.284949 0.111485 0.130959 H\n0.215051 0.388515 0.630959 H\n0.715051 0.888515 0.869041 H\n0.588821 0.635832 0.391935 H\n0.088821 0.135832 0.108065 H\n0.411179 0.364168 0.608065 H\n0.911179 0.864168 0.891935 H\n0.207926 0.567779 0.355811 H\n0.707926 0.067779 0.144189 H\n0.792074 0.432221 0.644189 H\n0.292074 0.932221 0.855811 H\n0.137908 0.485161 0.309979 H\n0.637908 0.985161 0.190021 H\n0.862092 0.514839 0.690021 H\n0.362092 0.014839 0.809979 H\n0.426242 0.472094 0.092678 H\n0.926242 0.972094 0.407322 H\n0.573758 0.527906 0.907322 H\n0.073758 0.027906 0.592678 H\n0.232025 0.493148 0.122693 H\n0.732025 0.993148 0.377307 H\n0.767975 0.506852 0.877307 H\n0.267975 0.006852 0.622693 H\n0.906147 0.607839 0.193001 H\n0.406147 0.107839 0.306999 H\n0.093853 0.392161 0.806999 H\n0.593853 0.892161 0.693001 H\n0.879758 0.510259 0.174647 H\n0.379758 0.010259 0.325353 H\n0.120242 0.489741 0.825353 H\n0.620242 0.989741 0.674647 H\n0.743177 0.535253 0.510798 H\n0.243177 0.035253 0.989202 H\n0.256823 0.464747 0.489202 H\n0.756823 0.964747 0.010798 H\n0.851708 0.465572 0.475910 H\n0.351708 0.965572 0.024090 H\n0.148292 0.534428 0.524090 H\n0.648292 0.034428 0.975910 H\n0.503575 0.770588 0.342514 C\n0.003575 0.270588 0.157486 C\n0.496425 0.229412 0.657486 C\n0.996425 0.729412 0.842514 C\n0.501154 0.858722 0.324722 C\n0.001154 0.358722 0.175278 C\n0.498846 0.141278 0.675278 C\n0.998846 0.641278 0.824722 C\n0.515670 0.842364 0.235825 C\n0.015670 0.342364 0.264175 C\n0.484330 0.157636 0.764175 C\n0.984330 0.657636 0.735825 C\n0.517694 0.753881 0.253579 C\n0.017694 0.253881 0.246421 C\n0.482306 0.246119 0.746421 C\n0.982306 0.746119 0.753579 C\n0.484366 0.737973 0.754030 C\n0.984366 0.237973 0.745970 C\n0.515634 0.262027 0.245970 C\n0.015634 0.762027 0.254030 C\n0.491909 0.650078 0.769965 C\n0.991909 0.150078 0.730035 C\n0.508091 0.349922 0.230035 C\n0.008091 0.849922 0.269965 C\n0.495517 0.665375 0.859618 C\n0.995517 0.165375 0.640382 C\n0.504483 0.334625 0.140382 C\n0.004483 0.834625 0.359618 C\n0.488823 0.754324 0.843764 C\n0.988823 0.254324 0.656236 C\n0.511177 0.245676 0.156236 C\n0.011177 0.745676 0.343764 C\n0.499966 0.725903 0.406459 O\n0.999966 0.225903 0.093541 O\n0.500034 0.274097 0.593541 O\n0.000034 0.774097 0.906459 O\n0.492710 0.923110 0.367545 O\n0.992710 0.423110 0.132455 O\n0.507290 0.076890 0.632455 O\n0.007290 0.576890 0.867545 O\n0.525066 0.886097 0.171818 O\n0.025066 0.386097 0.328182 O\n0.474934 0.113903 0.828182 O\n0.974934 0.613903 0.671818 O\n0.530999 0.691706 0.209024 O\n0.030999 0.191706 0.290976 O\n0.469001 0.308294 0.790976 O\n0.969001 0.808294 0.709024 O\n0.480570 0.782931 0.690612 O\n0.980570 0.282931 0.809388 O\n0.519430 0.217069 0.309388 O\n0.019430 0.717069 0.190612 O\n0.499704 0.588150 0.723474 O\n0.999704 0.088150 0.776526 O\n0.500296 0.411850 0.276526 O\n0.000296 0.911850 0.223474 O\n0.507736 0.621757 0.923132 O\n0.007736 0.121757 0.576868 O\n0.492264 0.378243 0.076868 O\n0.992264 0.878243 0.423132 O\n0.493273 0.818004 0.887878 O\n0.993273 0.318004 0.612122 O\n0.506727 0.181996 0.112122 O\n0.006727 0.681996 0.387878 O\n0.798414 0.796499 0.553539 O\n0.298414 0.296499 0.946461 O\n0.201586 0.203501 0.446461 O\n0.701586 0.703501 0.053539 O\n0.162641 0.685431 0.538560 O\n0.662641 0.185431 0.961440 O\n0.837359 0.314569 0.461440 O\n0.337359 0.814569 0.038560 O\n0.544589 0.615608 0.558853 O\n0.044589 0.115608 0.941147 O\n0.455411 0.384392 0.441147 O\n0.955411 0.884392 0.058853 O\n0.399651 0.882777 0.525476 O\n0.899651 0.382777 0.974524 O\n0.600349 0.117223 0.474524 O\n0.100349 0.617223 0.025476 O\n0.648516 0.588223 0.371875 O\n0.148516 0.088223 0.128125 O\n0.351484 0.411777 0.628125 O\n0.851484 0.911777 0.871875 O\n0.210150 0.542342 0.301225 O\n0.710150 0.042342 0.198775 O\n0.789850 0.457658 0.698775 O\n0.289850 0.957658 0.801225 O\n0.365127 0.519172 0.114327 O\n0.865127 0.019172 0.385673 O\n0.634873 0.480828 0.885673 O\n0.134873 0.980828 0.614327 O\n0.813362 0.555950 0.191537 O\n0.313362 0.055950 0.308463 O\n0.186638 0.444050 0.808463 O\n0.686638 0.944050 0.691537 O\n0.766599 0.478253 0.519300 O\n0.266599 0.978253 0.980700 O\n0.233401 0.521747 0.480700 O\n0.733401 0.021747 0.019300 O\n","nsites":180,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.1678711940586797,"density_atomic":0.09614507055945201,"volume":1872.1708658864177,"volume_molar":6.263598045077273,"formula_full":"Cd8 H72 C32 O68","formula_reduced":"Cd2H18C8O17","formula_anonymous":"A2B8C17D18","energy":-1087.53520039,"energy_per_atom":-6.041862224388889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1040.81920039,"band_gap":2.7825,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.258000Z","spacegroup":14},{"id":"mp-1030894","created_at":"2022-09-04T14:47:15.922561Z","structure_string":"Li1 La1 Mg6 O8\n1.0\n8.944418 0.000000 0.000000\n0.000000 4.461219 0.000000\n0.000000 0.000000 4.461219\nLi La Mg O\n1 1 6 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.267066 0.000000 0.500000 Mg\n0.732934 0.000000 0.500000 Mg\n0.267066 0.500000 0.000000 Mg\n0.732934 0.500000 0.000000 Mg\n0.265466 0.000000 0.000000 O\n0.734534 0.000000 0.000000 O\n0.272599 0.500000 0.500000 O\n0.727401 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Li","La","Mg","O"],"chemical_system":"La-Li-Mg-O","density":3.9147098383235877,"density_atomic":0.08987953345180905,"volume":178.01605533009095,"volume_molar":6.700235892110975,"formula_full":"Li1 La1 Mg6 O8","formula_reduced":"LiLaMg6O8","formula_anonymous":"ABC6D8","energy":-102.89705233,"energy_per_atom":-6.431065770625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.40105233,"band_gap":3.8675,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:58.637000Z","spacegroup":123},{"id":"mp-755986","created_at":"2022-09-04T14:47:16.052860Z","structure_string":"Li4 Nb2 Cr6 O16\n1.0\n3.014795 -5.221781 -0.000038\n6.051922 0.012894 0.012520\n-3.009276 -1.737334 9.812706\nLi Nb Cr O\n4 2 6 16\ndirect\n0.307135 0.385724 0.564563 Li\n0.807125 0.385748 0.064591 Li\n0.192786 0.614424 0.935719 Li\n0.692796 0.614402 0.435698 Li\n0.750353 0.499285 0.749621 Nb\n0.250373 0.499253 0.249596 Nb\n0.750173 0.999893 0.750665 Cr\n0.249916 0.999914 0.750679 Cr\n0.000116 0.999747 0.499281 Cr\n0.250139 0.999950 0.250721 Cr\n0.749922 0.999947 0.250713 Cr\n0.500203 0.999621 0.999228 Cr\n0.101454 0.797034 0.632650 O\n0.601482 0.797036 0.132630 O\n0.396719 0.206558 0.867030 O\n0.896723 0.206554 0.367030 O\n0.878319 0.243357 0.858566 O\n0.378325 0.243351 0.358544 O\n0.652860 0.242394 0.631420 O\n0.152751 0.242457 0.131487 O\n0.104748 0.242428 0.631465 O\n0.604792 0.242459 0.131488 O\n0.395039 0.755999 0.868118 O\n0.895063 0.755993 0.368094 O\n0.848960 0.756005 0.868126 O\n0.348961 0.756008 0.368130 O\n0.621384 0.757226 0.642076 O\n0.121383 0.757233 0.142073 O\n","nsites":28,"nelements":4,"elements":["Li","Nb","Cr","O"],"chemical_system":"Cr-Li-Nb-O","density":4.176384031747372,"density_atomic":0.09010648750357056,"volume":310.7434411855248,"volume_molar":6.683359796664327,"formula_full":"Li4 Nb2 Cr6 O16","formula_reduced":"Li2NbCr3O8","formula_anonymous":"AB2C3D8","energy":-236.43898105,"energy_per_atom":-8.444249323214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.45298105,"band_gap":1.6013000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.362000Z","spacegroup":166},{"id":"mp-683982","created_at":"2022-09-04T14:47:10.903176Z","structure_string":"Ru8 O8 F32\n1.0\n5.621753 0.000000 0.000000\n0.000000 9.505371 0.000000\n0.000000 0.000000 12.833106\nRu O F\n8 8 32\ndirect\n0.394063 0.767103 0.294538 Ru\n0.105937 0.232897 0.794538 Ru\n0.148294 0.482080 0.486275 Ru\n0.851706 0.982080 0.013725 Ru\n0.648294 0.017920 0.513725 Ru\n0.351706 0.517920 0.986275 Ru\n0.894063 0.732897 0.705462 Ru\n0.605937 0.267103 0.205462 Ru\n0.144866 0.817022 0.734052 O\n0.905596 0.079431 0.469918 O\n0.094404 0.579431 0.030082 O\n0.594404 0.920569 0.969918 O\n0.855134 0.317022 0.765948 O\n0.355134 0.182978 0.234052 O\n0.405596 0.420569 0.530082 O\n0.644866 0.682978 0.265948 O\n0.838006 0.373533 0.136783 F\n0.332925 0.343514 0.726724 F\n0.863057 0.854781 0.574544 F\n0.161994 0.873533 0.363217 F\n0.118727 0.104280 0.683244 F\n0.167075 0.656486 0.226724 F\n0.411701 0.891970 0.555920 F\n0.881273 0.604280 0.816756 F\n0.629795 0.110432 0.642427 F\n0.382018 0.409334 0.126881 F\n0.088299 0.108030 0.055920 F\n0.381273 0.895720 0.183244 F\n0.363057 0.645219 0.425456 F\n0.870205 0.889568 0.142427 F\n0.117982 0.590666 0.626881 F\n0.617982 0.909334 0.373119 F\n0.618727 0.395720 0.316756 F\n0.929828 0.352176 0.540293 F\n0.429828 0.147824 0.459707 F\n0.882018 0.090666 0.873119 F\n0.129795 0.389568 0.357573 F\n0.911701 0.608030 0.444080 F\n0.370205 0.610432 0.857573 F\n0.070172 0.852176 0.959707 F\n0.570172 0.647824 0.040293 F\n0.667075 0.843514 0.773276 F\n0.636943 0.145219 0.074544 F\n0.832925 0.156486 0.273276 F\n0.136943 0.354781 0.925456 F\n0.588299 0.391970 0.944080 F\n0.661994 0.626467 0.636783 F\n0.338006 0.126467 0.863217 F\n","nsites":48,"nelements":3,"elements":["Ru","O","F"],"chemical_system":"F-O-Ru","density":3.7399478767492145,"density_atomic":0.06999525873957624,"volume":685.7607338603946,"volume_molar":8.603640972892071,"formula_full":"Ru8 O8 F32","formula_reduced":"RuOF4","formula_anonymous":"ABC4","energy":-260.89163847,"energy_per_atom":-5.435242468125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.61163847,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:58.286000Z","spacegroup":19},{"id":"mp-1520754","created_at":"2022-09-04T14:47:16.408939Z","structure_string":"Ba1 Nb1 In1 Sn1 O6\n1.0\n0.000000 -4.174849 -4.174849\n4.174849 0.000000 -4.174849\n4.174849 -4.174849 -0.000000\nBa Nb In Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nb\n0.000000 -0.000000 -0.000000 In\n0.250000 0.250000 0.250000 Sn\n0.740952 0.259048 0.259048 O\n0.259048 0.740952 0.740952 O\n0.740952 0.259048 0.740952 O\n0.259048 0.740952 0.259048 O\n0.740952 0.740952 0.259048 O\n0.259048 0.259048 0.740952 O\n","nsites":10,"nelements":5,"elements":["Ba","Nb","In","Sn","O"],"chemical_system":"Ba-In-Nb-O-Sn","density":6.387000114458583,"density_atomic":0.0687143888142079,"volume":145.52992717490818,"volume_molar":8.764017062398462,"formula_full":"Ba1 Nb1 In1 Sn1 O6","formula_reduced":"BaNbInSnO6","formula_anonymous":"ABCDE6","energy":-73.24112227,"energy_per_atom":-7.3241122270000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.11912227,"band_gap":2.673,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.383000Z","spacegroup":216},{"id":"mp-1097334","created_at":"2022-09-04T14:47:15.953287Z","structure_string":"K1 Rb1 Na2\n1.0\n-7.645250 7.802594 10.817162\n7.645250 -7.802594 10.817162\n7.645250 7.802594 -10.817162\nK Rb Na\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Rb\n0.248797 0.000000 0.248797 Na\n0.751203 0.000000 0.751203 Na\n","nsites":4,"nelements":3,"elements":["K","Rb","Na"],"chemical_system":"K-Na-Rb","density":0.1097199722050012,"density_atomic":0.001549729732426282,"volume":2581.0952169947304,"volume_molar":388.59296779262525,"formula_full":"K1 Rb1 Na2","formula_reduced":"KRbNa2","formula_anonymous":"ABC2","energy":-2.6816377,"energy_per_atom":-0.670409425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.6816377,"band_gap":0.29,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.003000Z","spacegroup":71}]}