{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10233","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=10231","results":[{"id":"mp-1227369","created_at":"2022-09-04T14:47:27.445904Z","structure_string":"Ba1 Sr1 Yb1 Re1 O6\n1.0\n0.000000 4.182911 4.182911\n4.182911 0.000000 4.182911\n4.182911 4.182911 0.000000\nBa Sr Yb Re O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Re\n0.768395 0.768395 0.231605 O\n0.231605 0.768395 0.231605 O\n0.768395 0.231605 0.231605 O\n0.231605 0.231605 0.768395 O\n0.768395 0.231605 0.768395 O\n0.231605 0.768395 0.768395 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Yb","Re","O"],"chemical_system":"Ba-O-Re-Sr-Yb","density":7.716382144578716,"density_atomic":0.06831784078202581,"volume":146.37464951367383,"volume_molar":8.814887430670094,"formula_full":"Ba1 Sr1 Yb1 Re1 O6","formula_reduced":"BaSrYbReO6","formula_anonymous":"ABCDE6","energy":-76.96660746,"energy_per_atom":-7.696660746000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.84460746,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9869796,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.818000Z","spacegroup":216},{"id":"mp-13929","created_at":"2022-09-04T14:47:55.012338Z","structure_string":"Ba2 Sm1 Re1 O6\n1.0\n0.000000 4.285729 4.285729\n4.285729 0.000000 4.285729\n4.285729 4.285729 0.000000\nBa Sm Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Re\n0.768202 0.231798 0.768202 O\n0.231798 0.231798 0.768202 O\n0.768202 0.768202 0.231798 O\n0.768202 0.231798 0.231798 O\n0.231798 0.768202 0.231798 O\n0.231798 0.768202 0.768202 O\n","nsites":10,"nelements":4,"elements":["Ba","Sm","Re","O"],"chemical_system":"Ba-O-Re-Sm","density":7.459297383765616,"density_atomic":0.0635178642822702,"volume":157.43602391227296,"volume_molar":9.481018966944337,"formula_full":"Ba2 Sm1 Re1 O6","formula_reduced":"Ba2SmReO6","formula_anonymous":"ABC2D6","energy":-80.49198902,"energy_per_atom":-8.049198902,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.36998902,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012139,"is_theoretical":false,"updated_at":"2021-11-28T01:38:18.336000Z","spacegroup":225},{"id":"mp-1194628","created_at":"2022-09-04T14:45:53.104240Z","structure_string":"Ba2 Re6 Se8 O14\n1.0\n8.704775 0.000000 0.000000\n1.663715 8.883116 0.000000\n4.050441 2.389059 7.939167\nBa Re Se O\n2 6 8 14\ndirect\n0.326934 0.862571 0.756496 Ba\n0.673066 0.137429 0.243504 Ba\n0.817214 0.683294 0.504913 Re\n0.182786 0.316706 0.495087 Re\n0.877318 0.337149 0.479667 Re\n0.122682 0.662851 0.520333 Re\n0.879465 0.468241 0.769628 Re\n0.120535 0.531759 0.230372 Re\n0.635388 0.447621 0.700860 Se\n0.364612 0.552379 0.299140 Se\n0.809762 0.573471 0.276776 Se\n0.190238 0.426529 0.723224 Se\n0.230683 0.242748 0.225377 Se\n0.769317 0.757252 0.774623 Se\n0.932043 0.183123 0.737881 Se\n0.067957 0.816877 0.262119 Se\n0.645153 0.834985 0.500156 O\n0.354847 0.165015 0.499844 O\n0.856963 0.188819 0.405896 O\n0.143037 0.811181 0.594104 O\n0.788272 0.427500 0.992932 O\n0.211728 0.572500 0.007068 O\n0.550213 0.742294 0.881263 O\n0.449787 0.257706 0.118737 O\n0.024876 0.980432 0.927156 O\n0.975124 0.019568 0.072844 O\n0.491788 0.129283 0.838976 O\n0.508212 0.870717 0.161024 O\n0.333245 0.110010 0.905178 O\n0.666755 0.889990 0.094822 O\n","nsites":30,"nelements":4,"elements":["Ba","Re","Se","O"],"chemical_system":"Ba-O-Re-Se","density":6.079446480142234,"density_atomic":0.04886787270686118,"volume":613.9002649032423,"volume_molar":12.32331269282871,"formula_full":"Ba2 Re6 Se8 O14","formula_reduced":"BaRe3Se4O7","formula_anonymous":"AB3C4D7","energy":-203.62908134,"energy_per_atom":-6.787636044666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-197.59908134,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0007142,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.589000Z","spacegroup":2},{"id":"mp-1228167","created_at":"2022-09-04T14:41:35.088737Z","structure_string":"Ba4 Sc1 Re1 W1 O12\n1.0\n9.594424 -2.923239 0.000000\n9.594424 2.923239 0.000000\n8.703768 0.000000 4.984247\nBa Sc Re W O\n4 1 1 1 12\ndirect\n0.708096 0.708096 0.708096 Ba\n0.289337 0.289337 0.289337 Ba\n0.868973 0.868973 0.868973 Ba\n0.134730 0.134730 0.134730 Ba\n0.998408 0.998408 0.998408 Sc\n0.419543 0.419543 0.419543 Re\n0.579369 0.579369 0.579369 W\n0.385643 0.385643 0.864937 O\n0.864937 0.385643 0.385643 O\n0.385643 0.864937 0.385643 O\n0.608492 0.608492 0.143614 O\n0.143614 0.608492 0.608492 O\n0.608492 0.143614 0.608492 O\n0.220098 0.220098 0.691212 O\n0.691212 0.220098 0.220098 O\n0.220098 0.691212 0.220098 O\n0.784990 0.784990 0.303335 O\n0.303335 0.784990 0.784990 O\n0.784990 0.303335 0.784990 O\n","nsites":19,"nelements":5,"elements":["Ba","Sc","Re","W","O"],"chemical_system":"Ba-O-Re-Sc-W","density":6.867651272485005,"density_atomic":0.0679580358112709,"volume":279.5843018883844,"volume_molar":8.861558001358867,"formula_full":"Ba4 Sc1 Re1 W1 O12","formula_reduced":"Ba4ScReWO12","formula_anonymous":"ABCD4E12","energy":-155.68843678,"energy_per_atom":-8.194128251578947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.00643678,"band_gap":1.8841,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021459,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.657000Z","spacegroup":160},{"id":"mp-1206861","created_at":"2022-09-04T14:40:21.073012Z","structure_string":"Ba2 Sc1 Re1 O6\n1.0\n0.000000 4.125275 4.125275\n4.125275 0.000000 4.125275\n4.125275 4.125275 0.000000\nBa Sc Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Re\n0.758322 0.241678 0.241678 O\n0.241678 0.758322 0.758322 O\n0.241678 0.758322 0.241678 O\n0.758322 0.241678 0.758322 O\n0.241678 0.241678 0.758322 O\n0.758322 0.758322 0.241678 O\n","nsites":10,"nelements":4,"elements":["Ba","Sc","Re","O"],"chemical_system":"Ba-O-Re-Sc","density":7.117413162768668,"density_atomic":0.07122152845977911,"volume":140.40698390301037,"volume_molar":8.455506207509826,"formula_full":"Ba2 Sc1 Re1 O6","formula_reduced":"Ba2ScReO6","formula_anonymous":"ABC2D6","energy":-82.83546060999998,"energy_per_atom":-8.283546061,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.71346061,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.98345,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.218000Z","spacegroup":225},{"id":"mp-1193342","created_at":"2022-09-04T14:45:26.617886Z","structure_string":"Ba2 Re6 S8 O14\n1.0\n8.670911 0.000000 0.000000\n1.551320 8.613015 0.000000\n1.209974 3.147881 8.463582\nBa Re S O\n2 6 8 14\ndirect\n0.090515 0.647312 0.209687 Ba\n0.909485 0.352688 0.790313 Ba\n0.317668 0.239017 0.527318 Re\n0.682332 0.760983 0.472682 Re\n0.727225 0.130430 0.518185 Re\n0.272775 0.869570 0.481815 Re\n0.518763 0.137947 0.207982 Re\n0.481237 0.862053 0.792018 Re\n0.538470 0.320376 0.345498 S\n0.461530 0.679624 0.654502 S\n0.516739 0.146939 0.709821 S\n0.483261 0.853061 0.290179 S\n0.745867 0.844184 0.676296 S\n0.254133 0.155816 0.323704 S\n0.768184 0.018326 0.310550 S\n0.231816 0.981674 0.689450 S\n0.179002 0.405011 0.544013 O\n0.820998 0.594989 0.455987 O\n0.882201 0.218769 0.542150 O\n0.117799 0.781231 0.457850 O\n0.540773 0.226065 0.007398 O\n0.459227 0.773935 0.992602 O\n0.247813 0.543739 0.983879 O\n0.752187 0.456261 0.016121 O\n0.072118 0.962503 0.021216 O\n0.927882 0.037497 0.978784 O\n0.840555 0.508196 0.097708 O\n0.159445 0.491804 0.902292 O\n0.871150 0.668053 0.023337 O\n0.128850 0.331947 0.976663 O\n","nsites":30,"nelements":4,"elements":["Ba","Re","S","O"],"chemical_system":"Ba-O-Re-S","density":4.918983370208901,"density_atomic":0.04746211817619337,"volume":632.0830412294529,"volume_molar":12.688310154308828,"formula_full":"Ba2 Re6 S8 O14","formula_reduced":"BaRe3S4O7","formula_anonymous":"AB3C4D7","energy":-205.68794625,"energy_per_atom":-6.856264875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.66394625,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7601598,"is_theoretical":true,"updated_at":"2021-11-28T01:37:01.430000Z","spacegroup":2},{"id":"mp-1197806","created_at":"2022-09-04T14:44:08.242392Z","structure_string":"Ba16 Re6 O37\n1.0\n2.983664 10.558659 0.000000\n-2.983664 10.558659 0.000000\n0.000000 0.691464 15.819918\nBa Re O\n16 6 37\ndirect\n0.548550 0.548550 0.857822 Ba\n0.451450 0.451450 0.142178 Ba\n0.181299 0.181299 0.954912 Ba\n0.818701 0.818701 0.045088 Ba\n0.420345 0.420345 0.648299 Ba\n0.579655 0.579655 0.351701 Ba\n0.912783 0.912783 0.798824 Ba\n0.087217 0.087217 0.201176 Ba\n0.606992 0.606992 0.602967 Ba\n0.393008 0.393008 0.397033 Ba\n0.735786 0.735786 0.799476 Ba\n0.264214 0.264214 0.200524 Ba\n0.236091 0.236091 0.600721 Ba\n0.763909 0.763909 0.399279 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.358017 0.358017 0.929561 Re\n0.641983 0.641983 0.070439 Re\n0.080814 0.080814 0.734724 Re\n0.919186 0.919186 0.265276 Re\n0.827125 0.827125 0.609086 Re\n0.172875 0.172875 0.390914 Re\n0.336129 0.336129 0.050494 O\n0.663871 0.663871 0.949506 O\n0.915926 0.915926 0.625782 O\n0.084074 0.084074 0.374218 O\n0.737147 0.737147 0.605984 O\n0.262853 0.262853 0.394016 O\n0.397548 0.397548 0.822537 O\n0.602452 0.602452 0.177463 O\n0.073162 0.520268 0.909345 O\n0.520268 0.073162 0.909345 O\n0.926838 0.479732 0.090655 O\n0.479732 0.926838 0.090655 O\n0.066824 0.603278 0.528491 O\n0.603278 0.066824 0.528491 O\n0.933176 0.396722 0.471509 O\n0.396722 0.933176 0.471509 O\n0.785607 0.251705 0.724266 O\n0.251705 0.785607 0.724266 O\n0.214393 0.748295 0.275734 O\n0.748295 0.214393 0.275734 O\n0.058427 0.058427 0.854836 O\n0.941573 0.941573 0.145164 O\n0.097016 0.097016 0.617632 O\n0.902984 0.902984 0.382368 O\n0.917687 0.367268 0.752805 O\n0.367268 0.917687 0.752805 O\n0.082313 0.632732 0.247195 O\n0.632732 0.082313 0.247195 O\n0.184482 0.648711 0.956959 O\n0.648711 0.184482 0.956959 O\n0.815518 0.351289 0.043041 O\n0.351289 0.815518 0.043041 O\n0.500000 0.500000 0.500000 O\n0.043756 0.595931 0.697360 O\n0.595931 0.043756 0.697360 O\n0.956244 0.404069 0.302640 O\n0.404069 0.956244 0.302640 O\n","nsites":59,"nelements":3,"elements":["Ba","Re","O"],"chemical_system":"Ba-O-Re","density":6.507866948841855,"density_atomic":0.05919146778625149,"volume":996.7652806491823,"volume_molar":10.174001397881831,"formula_full":"Ba16 Re6 O37","formula_reduced":"Ba16Re6O37","formula_anonymous":"A6B16C37","energy":-453.21107673,"energy_per_atom":-7.681543673389831,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-427.79207673,"band_gap":1.5112,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003451,"is_theoretical":false,"updated_at":"2021-11-28T01:36:28.180000Z","spacegroup":12},{"id":"mp-698206","created_at":"2022-09-04T14:45:56.279144Z","structure_string":"Ba10 Re6 O32\n1.0\n5.539309 -9.594365 0.000000\n5.539309 9.594365 0.000000\n0.000000 0.000000 7.963789\nBa Re O\n10 6 32\ndirect\n0.666667 0.333333 0.502939 Ba\n0.333333 0.666667 0.502939 Ba\n0.333333 0.666667 0.002939 Ba\n0.666667 0.333333 0.002939 Ba\n0.260238 0.260238 0.239571 Ba\n0.739762 0.000000 0.239571 Ba\n0.000000 0.739762 0.239571 Ba\n0.739762 0.739762 0.739571 Ba\n0.260238 0.000000 0.739571 Ba\n0.000000 0.260238 0.739571 Ba\n0.390017 0.390017 0.794903 Re\n0.609983 0.000000 0.794903 Re\n0.000000 0.609983 0.794903 Re\n0.609983 0.609983 0.294903 Re\n0.390017 0.000000 0.294903 Re\n0.000000 0.390017 0.294903 Re\n0.000000 0.000000 0.179350 O\n0.000000 0.000000 0.679350 O\n0.296944 0.296944 0.615679 O\n0.703056 0.000000 0.615679 O\n0.000000 0.703056 0.615679 O\n0.703056 0.703056 0.115679 O\n0.296944 0.000000 0.115679 O\n0.000000 0.296944 0.115679 O\n0.576904 0.446243 0.759131 O\n0.553757 0.130661 0.759131 O\n0.869339 0.423096 0.759131 O\n0.446243 0.576904 0.759131 O\n0.130661 0.553757 0.759131 O\n0.423096 0.869339 0.759131 O\n0.423096 0.553757 0.259131 O\n0.446243 0.869339 0.259131 O\n0.130661 0.576904 0.259131 O\n0.553757 0.423096 0.259131 O\n0.869339 0.446243 0.259131 O\n0.576904 0.130661 0.259131 O\n0.385805 0.254440 0.935425 O\n0.745560 0.131365 0.935425 O\n0.868635 0.614195 0.935425 O\n0.254440 0.385805 0.935425 O\n0.131365 0.745560 0.935425 O\n0.614195 0.868635 0.935425 O\n0.614195 0.745560 0.435425 O\n0.254440 0.868635 0.435425 O\n0.131365 0.385805 0.435425 O\n0.745560 0.614195 0.435425 O\n0.868635 0.254440 0.435425 O\n0.385805 0.131365 0.435425 O\n","nsites":48,"nelements":3,"elements":["Ba","Re","O"],"chemical_system":"Ba-O-Re","density":5.8899214512579,"density_atomic":0.0567047797996271,"volume":846.4894876518973,"volume_molar":10.620164263541682,"formula_full":"Ba10 Re6 O32","formula_reduced":"Ba5Re3O16","formula_anonymous":"A3B5C16","energy":-381.11545385,"energy_per_atom":-7.9399052885416666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-359.13145385,"band_gap":0.5103,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0089327,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.262000Z","spacegroup":185},{"id":"mp-1214641","created_at":"2022-09-04T14:46:06.023517Z","structure_string":"Ba4 Re8 O36\n1.0\n7.520710 0.000000 0.000000\n0.017054 7.669126 0.000000\n1.602800 0.091032 15.706995\nBa Re O\n4 8 36\ndirect\n0.221155 0.828542 0.131774 Ba\n0.778845 0.171458 0.868226 Ba\n0.218679 0.180703 0.631042 Ba\n0.781321 0.819297 0.368958 Ba\n0.699737 0.862882 0.649427 Re\n0.300263 0.137118 0.350573 Re\n0.761827 0.693646 0.988238 Re\n0.238173 0.306354 0.011762 Re\n0.284281 0.872458 0.852776 Re\n0.715719 0.127542 0.147224 Re\n0.236487 0.697443 0.508504 Re\n0.763513 0.302557 0.491496 Re\n0.162700 0.029852 0.799058 O\n0.837300 0.970148 0.200942 O\n0.513560 0.921264 0.838764 O\n0.486440 0.078736 0.161236 O\n0.080409 0.647079 0.437094 O\n0.919591 0.352921 0.562906 O\n0.767779 0.849728 0.540188 O\n0.232221 0.150272 0.459812 O\n0.711824 0.494267 0.942242 O\n0.288176 0.505733 0.057758 O\n0.177719 0.971448 0.304154 O\n0.822281 0.028552 0.695846 O\n0.427577 0.785024 0.450560 O\n0.572423 0.214976 0.549440 O\n0.082853 0.333591 0.937055 O\n0.917147 0.666409 0.062945 O\n0.215152 0.879422 0.962057 O\n0.784848 0.120578 0.037943 O\n0.294811 0.512251 0.565431 O\n0.705189 0.487749 0.434569 O\n0.733854 0.660098 0.695535 O\n0.266146 0.339902 0.304465 O\n0.496912 0.345722 0.748281 O\n0.503088 0.654278 0.251719 O\n0.002702 0.569103 0.246151 O\n0.997298 0.430897 0.753849 O\n0.434490 0.215698 0.960531 O\n0.565510 0.784302 0.039469 O\n0.470127 0.911579 0.661366 O\n0.529873 0.088421 0.338634 O\n0.853590 0.834156 0.907303 O\n0.146410 0.165844 0.092697 O\n0.251708 0.662137 0.816203 O\n0.748292 0.337863 0.183797 O\n0.140639 0.852704 0.580418 O\n0.859361 0.147296 0.419582 O\n","nsites":48,"nelements":3,"elements":["Ba","Re","O"],"chemical_system":"Ba-O-Re","density":4.7930659354449965,"density_atomic":0.052983838258499255,"volume":905.9366323333552,"volume_molar":11.365995665732985,"formula_full":"Ba4 Re8 O36","formula_reduced":"BaRe2O9","formula_anonymous":"AB2C9","energy":-388.3204139,"energy_per_atom":-8.090008622916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-363.5884139,"band_gap":0.3665,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.2235004,"is_theoretical":true,"updated_at":"2021-11-28T01:37:25.615000Z","spacegroup":2},{"id":"mp-505390","created_at":"2022-09-04T14:41:15.762329Z","structure_string":"Ba8 Re4 O20\n1.0\n5.756694 0.000000 0.000000\n0.000000 7.454288 0.000000\n0.000000 0.000000 11.720351\nBa Re O\n8 4 20\ndirect\n0.750000 0.477616 0.285194 Ba\n0.250000 0.522384 0.714806 Ba\n0.750000 0.977616 0.214806 Ba\n0.250000 0.022384 0.785194 Ba\n0.750000 0.164994 0.580305 Ba\n0.250000 0.835006 0.419695 Ba\n0.750000 0.664994 0.919695 Ba\n0.250000 0.335006 0.080305 Ba\n0.750000 0.168846 0.937257 Re\n0.250000 0.831154 0.062743 Re\n0.750000 0.668846 0.562743 Re\n0.250000 0.331154 0.437257 Re\n0.487713 0.177888 0.384970 O\n0.987713 0.822112 0.615030 O\n0.012287 0.677888 0.115030 O\n0.512287 0.322112 0.884970 O\n0.512287 0.822112 0.615030 O\n0.012287 0.177888 0.384970 O\n0.987713 0.322112 0.884970 O\n0.487713 0.677888 0.115030 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.750000 0.278360 0.090032 O\n0.250000 0.721640 0.909968 O\n0.750000 0.778360 0.409968 O\n0.250000 0.221640 0.590032 O\n0.750000 0.021755 0.806980 O\n0.250000 0.978245 0.193020 O\n0.750000 0.521755 0.693020 O\n0.250000 0.478245 0.306980 O\n","nsites":32,"nelements":3,"elements":["Ba","Re","O"],"chemical_system":"Ba-O-Re","density":7.142864567334863,"density_atomic":0.06362532992981111,"volume":502.9443467766863,"volume_molar":9.465005158548303,"formula_full":"Ba8 Re4 O20","formula_reduced":"Ba2ReO5","formula_anonymous":"AB2C5","energy":-251.80991106,"energy_per_atom":-7.869059720625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-238.06991106,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.6079542,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.109000Z","spacegroup":62},{"id":"mp-1196150","created_at":"2022-09-04T14:40:41.908630Z","structure_string":"Ba4 Re8 O48\n1.0\n12.620865 0.000000 0.000000\n0.000000 7.438404 0.000000\n0.000000 7.338714 11.796704\nBa Re O\n4 8 48\ndirect\n0.246740 0.684349 0.571856 Ba\n0.253260 0.684349 0.071856 Ba\n0.753260 0.315651 0.428144 Ba\n0.746740 0.315651 0.928144 Ba\n0.573428 0.786515 0.458930 Re\n0.926572 0.786515 0.958930 Re\n0.426572 0.213485 0.541070 Re\n0.073428 0.213485 0.041070 Re\n0.388517 0.341192 0.912227 Re\n0.111483 0.341192 0.412227 Re\n0.611483 0.658808 0.087773 Re\n0.888517 0.658808 0.587773 Re\n0.436459 0.862264 0.441336 O\n0.063541 0.862264 0.941336 O\n0.563541 0.137736 0.558664 O\n0.936459 0.137736 0.058664 O\n0.601865 0.652730 0.602843 O\n0.898135 0.652730 0.102843 O\n0.398135 0.347270 0.397157 O\n0.101865 0.347270 0.897157 O\n0.599796 0.619238 0.408347 O\n0.900204 0.619238 0.908347 O\n0.400204 0.380762 0.591653 O\n0.099796 0.380762 0.091653 O\n0.654059 0.012056 0.389414 O\n0.845941 0.012056 0.889414 O\n0.345941 0.987944 0.610586 O\n0.154059 0.987944 0.110586 O\n0.359402 0.504005 0.767877 O\n0.140598 0.504005 0.267877 O\n0.640598 0.495995 0.232123 O\n0.859402 0.495995 0.732123 O\n0.348650 0.081830 0.959272 O\n0.151350 0.081830 0.459272 O\n0.651350 0.918170 0.040728 O\n0.848650 0.918170 0.540728 O\n0.524990 0.347184 0.933570 O\n0.975010 0.347184 0.433570 O\n0.475010 0.652816 0.066430 O\n0.024990 0.652816 0.566430 O\n0.318007 0.432294 0.987750 O\n0.181993 0.432294 0.487750 O\n0.681993 0.567706 0.012250 O\n0.818007 0.567706 0.512250 O\n0.164453 0.212137 0.714996 O\n0.335547 0.212137 0.214996 O\n0.835547 0.787863 0.285004 O\n0.664453 0.787863 0.785004 O\n0.140281 0.853424 0.707941 O\n0.359719 0.853424 0.207941 O\n0.859719 0.146576 0.292059 O\n0.640281 0.146576 0.792059 O\n0.287231 0.902125 0.322975 O\n0.212769 0.902125 0.822975 O\n0.712769 0.097875 0.677025 O\n0.787231 0.097875 0.177025 O\n0.967946 0.966371 0.268097 O\n0.532054 0.966371 0.768097 O\n0.032054 0.033629 0.731903 O\n0.467946 0.033629 0.231903 O\n","nsites":60,"nelements":3,"elements":["Ba","Re","O"],"chemical_system":"Ba-O-Re","density":4.2087382624047125,"density_atomic":0.05417783975980186,"volume":1107.4638683640906,"volume_molar":11.115505503171109,"formula_full":"Ba4 Re8 O48","formula_reduced":"Ba(ReO6)2","formula_anonymous":"AB2C12","energy":-429.7923661,"energy_per_atom":-7.163206101666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-396.8163661,"band_gap":0.5435999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":32.0000006,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.319000Z","spacegroup":14},{"id":"mp-1203847","created_at":"2022-09-04T14:41:47.231440Z","structure_string":"Ba10 Re3 O22\n1.0\n2.922307 10.166519 0.000000\n-2.922307 10.166519 0.000000\n0.000000 0.594293 10.220673\nBa Re O\n10 3 22\ndirect\n0.292247 0.292247 0.413900 Ba\n0.707753 0.707753 0.586100 Ba\n0.407057 0.407057 0.085344 Ba\n0.592943 0.592943 0.914656 Ba\n0.178587 0.178587 0.103919 Ba\n0.821413 0.821413 0.896081 Ba\n0.066630 0.066630 0.659768 Ba\n0.933370 0.933370 0.340232 Ba\n0.431293 0.431293 0.671716 Ba\n0.568707 0.568707 0.328284 Ba\n0.000000 0.000000 0.000000 Re\n0.256923 0.256923 0.761484 Re\n0.743077 0.743077 0.238516 Re\n0.083121 0.533128 0.659361 O\n0.533128 0.083121 0.659361 O\n0.916879 0.466872 0.340639 O\n0.466872 0.916879 0.340639 O\n0.325473 0.325473 0.881494 O\n0.674527 0.674527 0.118506 O\n0.196703 0.196703 0.623854 O\n0.803297 0.803297 0.376146 O\n0.973890 0.448622 0.848926 O\n0.448622 0.973890 0.848926 O\n0.026110 0.551378 0.151074 O\n0.551378 0.026110 0.151074 O\n0.086435 0.086435 0.918602 O\n0.913565 0.913565 0.081398 O\n0.793889 0.258461 0.118248 O\n0.258461 0.793889 0.118248 O\n0.206111 0.741539 0.881752 O\n0.741539 0.206111 0.881752 O\n0.426668 0.426668 0.357870 O\n0.573332 0.573332 0.642130 O\n0.950215 0.950215 0.587786 O\n0.049785 0.049785 0.412214 O\n","nsites":35,"nelements":3,"elements":["Ba","Re","O"],"chemical_system":"Ba-O-Re","density":6.244739927303135,"density_atomic":0.05763156856589568,"volume":607.306045470221,"volume_molar":10.449378543487517,"formula_full":"Ba10 Re3 O22","formula_reduced":"Ba10Re3O22","formula_anonymous":"A3B10C22","energy":-258.50442043,"energy_per_atom":-7.385840583714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.39042043,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0001351,"is_theoretical":false,"updated_at":"2021-11-28T01:35:26.665000Z","spacegroup":12}]}