{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10236","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10234","results":[{"id":"mp-1218207","created_at":"2022-09-04T14:40:43.425675Z","structure_string":"Sr2 La2 Sc2 O8\n1.0\n2.874661 -6.239673 0.000000\n2.874661 6.239673 0.000000\n0.000000 0.000000 5.890514\nSr La Sc O\n2 2 2 8\ndirect\n0.604966 0.395034 0.513223 Sr\n0.395034 0.604966 0.013223 Sr\n0.891491 0.108509 0.481881 La\n0.108509 0.891491 0.981881 La\n0.254471 0.745529 0.495898 Sc\n0.745529 0.254471 0.995898 Sc\n0.016338 0.475177 0.743419 O\n0.983662 0.524823 0.243419 O\n0.475177 0.016338 0.243419 O\n0.524823 0.983662 0.743419 O\n0.582944 0.417056 0.938462 O\n0.929518 0.070482 0.083698 O\n0.417056 0.582944 0.438462 O\n0.070482 0.929518 0.583698 O\n","nsites":14,"nelements":4,"elements":["Sr","La","Sc","O"],"chemical_system":"La-O-Sc-Sr","density":5.272453449437438,"density_atomic":0.06625160137102926,"volume":211.31564687162373,"volume_molar":9.089804073224084,"formula_full":"Sr2 La2 Sc2 O8","formula_reduced":"SrLaScO4","formula_anonymous":"ABCD4","energy":-116.89110631,"energy_per_atom":-8.349364736428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.39510631,"band_gap":3.6344,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010241,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.662000Z","spacegroup":36},{"id":"mp-1194785","created_at":"2022-09-04T14:40:43.486048Z","structure_string":"Ba12 P12 Br4 O40\n1.0\n7.349176 0.000000 0.000000\n0.000000 11.461831 0.000000\n0.000000 0.000000 14.226631\nBa P Br O\n12 12 4 40\ndirect\n0.880050 0.742588 0.093875 Ba\n0.619950 0.257412 0.593875 Ba\n0.380050 0.757412 0.906125 Ba\n0.119950 0.242588 0.406125 Ba\n0.859970 0.253717 0.111359 Ba\n0.640030 0.746283 0.611359 Ba\n0.359970 0.246283 0.888641 Ba\n0.140030 0.753717 0.388641 Ba\n0.622017 0.993701 0.320386 Ba\n0.877983 0.006299 0.820386 Ba\n0.122017 0.506299 0.679614 Ba\n0.377983 0.493701 0.179614 Ba\n0.916521 0.503221 0.249417 P\n0.583479 0.496779 0.749417 P\n0.416521 0.996779 0.750583 P\n0.083479 0.003221 0.250583 P\n0.814501 0.510667 0.459073 P\n0.685499 0.489333 0.959073 P\n0.314501 0.989333 0.540927 P\n0.185499 0.010667 0.040927 P\n0.385427 0.519425 0.474461 P\n0.114573 0.480575 0.974461 P\n0.885427 0.980575 0.525539 P\n0.614573 0.019425 0.025539 P\n0.475301 0.764336 0.209452 Br\n0.024699 0.235664 0.709452 Br\n0.975301 0.735664 0.790548 Br\n0.524699 0.264336 0.290548 Br\n0.972955 0.890153 0.241437 O\n0.527045 0.109847 0.741437 O\n0.472955 0.609847 0.758563 O\n0.027045 0.390153 0.258563 O\n0.961574 0.110657 0.265469 O\n0.538426 0.889343 0.765469 O\n0.461574 0.389343 0.734531 O\n0.038426 0.610657 0.234531 O\n0.840162 0.101006 0.484462 O\n0.659838 0.898994 0.984462 O\n0.340162 0.398994 0.515538 O\n0.159838 0.601006 0.015538 O\n0.822687 0.879383 0.462165 O\n0.677313 0.120617 0.962165 O\n0.322687 0.620617 0.537835 O\n0.177313 0.379383 0.037835 O\n0.810318 0.529662 0.348622 O\n0.689682 0.470338 0.848622 O\n0.310318 0.970338 0.651378 O\n0.189682 0.029662 0.151378 O\n0.737180 0.505009 0.677735 O\n0.762820 0.494991 0.177735 O\n0.237180 0.994991 0.322265 O\n0.262820 0.005009 0.822265 O\n0.631050 0.612575 0.984835 O\n0.868950 0.387425 0.484835 O\n0.131050 0.887425 0.015165 O\n0.368950 0.112575 0.515165 O\n0.608356 0.534591 0.485359 O\n0.891644 0.465409 0.985359 O\n0.108356 0.965409 0.514641 O\n0.391644 0.034591 0.014641 O\n0.421597 0.891175 0.495461 O\n0.078403 0.108825 0.995461 O\n0.921597 0.608825 0.504539 O\n0.578403 0.391175 0.004539 O\n0.333147 0.537341 0.372302 O\n0.166853 0.462659 0.872302 O\n0.833147 0.962659 0.627698 O\n0.666853 0.037341 0.127698 O\n","nsites":68,"nelements":4,"elements":["Ba","P","Br","O"],"chemical_system":"Ba-Br-O-P","density":4.128138005429557,"density_atomic":0.05674324870196024,"volume":1198.380451517061,"volume_molar":10.612964357453082,"formula_full":"Ba12 P12 Br4 O40","formula_reduced":"Ba3P3BrO10","formula_anonymous":"AB3C3D10","energy":-503.25380823,"energy_per_atom":-7.4007912975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-473.63780823,"band_gap":5.0533,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007738,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.456000Z","spacegroup":19},{"id":"mp-760016","created_at":"2022-09-04T14:40:43.560551Z","structure_string":"Li2 V2 Fe2 P4 H4 O20\n1.0\n5.220982 0.000000 0.000000\n-2.539037 6.995660 0.000000\n-1.208742 -3.393520 9.882054\nLi V Fe P H O\n2 2 2 4 4 20\ndirect\n0.571986 0.644292 0.793627 Li\n0.428014 0.355708 0.206373 Li\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.498998 0.045448 0.821637 P\n0.997190 0.446783 0.677340 P\n0.002810 0.553217 0.322660 P\n0.501002 0.954552 0.178363 P\n0.321412 0.317210 0.967519 H\n0.166560 0.174311 0.514879 H\n0.833440 0.825689 0.485121 H\n0.678588 0.682790 0.032481 H\n0.819250 0.690654 0.976625 O\n0.645173 0.279628 0.902938 O\n0.123849 0.483084 0.828808 O\n0.247917 0.956189 0.879681 O\n0.707325 0.943123 0.835852 O\n0.777480 0.540108 0.668841 O\n0.253944 0.551681 0.625292 O\n0.395248 0.019701 0.671999 O\n0.872788 0.216790 0.595660 O\n0.343688 0.201238 0.484104 O\n0.656312 0.798762 0.515896 O\n0.127212 0.783210 0.404340 O\n0.604752 0.980299 0.328001 O\n0.746056 0.448319 0.374708 O\n0.222520 0.459892 0.331159 O\n0.292675 0.056877 0.164148 O\n0.752083 0.043811 0.120319 O\n0.876151 0.516916 0.171192 O\n0.354827 0.720372 0.097062 O\n0.180750 0.309346 0.023375 O\n","nsites":34,"nelements":6,"elements":["Li","V","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P-V","density":3.1071529124008914,"density_atomic":0.0941999786678069,"volume":360.9342643261085,"volume_molar":6.392932190820211,"formula_full":"Li2 V2 Fe2 P4 H4 O20","formula_reduced":"LiVFeP2(HO5)2","formula_anonymous":"ABCD2E2F10","energy":-251.20343987,"energy_per_atom":-7.388336466764706,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-229.55143987,"band_gap":1.0926,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":12.0012445,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.569000Z","spacegroup":2},{"id":"mp-1103395","created_at":"2022-09-04T14:40:43.588283Z","structure_string":"La8 Au4\n1.0\n5.138576 0.000000 0.000000\n0.000000 7.464275 0.000000\n0.000000 0.000000 9.641246\nLa Au\n8 4\ndirect\n0.250000 0.843251 0.920777 La\n0.250000 0.343251 0.579223 La\n0.750000 0.156749 0.079223 La\n0.750000 0.656749 0.420777 La\n0.250000 0.490501 0.176158 La\n0.250000 0.990501 0.323842 La\n0.750000 0.509499 0.823842 La\n0.750000 0.009499 0.676158 La\n0.250000 0.254350 0.893542 Au\n0.250000 0.754350 0.606458 Au\n0.750000 0.745650 0.106458 Au\n0.750000 0.245650 0.393542 Au\n","nsites":12,"nelements":2,"elements":["La","Au"],"chemical_system":"Au-La","density":8.527773298184359,"density_atomic":0.032450221555534765,"volume":369.797167007424,"volume_molar":18.558088269732796,"formula_full":"La8 Au4","formula_reduced":"La2Au","formula_anonymous":"AB2","energy":-59.22899536,"energy_per_atom":-4.935749613333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.22899536,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0520822,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.991000Z","spacegroup":62},{"id":"mp-557453","created_at":"2022-09-04T14:40:43.745846Z","structure_string":"La4 Zr4 O14\n1.0\n0.000000 5.375386 5.375386\n5.375386 0.000000 5.375386\n5.375386 5.375386 0.000000\nLa Zr O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 La\n0.125000 0.125000 0.125000 La\n0.625000 0.125000 0.125000 La\n0.125000 0.625000 0.125000 La\n0.625000 0.625000 0.625000 Zr\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.508350 0.991650 0.991650 O\n0.258350 0.741650 0.741650 O\n0.991650 0.991650 0.508350 O\n0.508350 0.508350 0.991650 O\n0.741650 0.741650 0.258350 O\n0.991650 0.508350 0.508350 O\n0.750000 0.750000 0.750000 O\n0.258350 0.258350 0.741650 O\n0.508350 0.991650 0.508350 O\n0.741650 0.258350 0.741650 O\n0.741650 0.258350 0.258350 O\n0.258350 0.741650 0.258350 O\n0.500000 0.500000 0.500000 O\n0.991650 0.508350 0.991650 O\n","nsites":22,"nelements":3,"elements":["La","Zr","O"],"chemical_system":"La-O-Zr","density":6.1180007865571095,"density_atomic":0.07082127115467306,"volume":310.641134242736,"volume_molar":8.503293801162782,"formula_full":"La4 Zr4 O14","formula_reduced":"La2Zr2O7","formula_anonymous":"A2B2C7","energy":-200.78998342,"energy_per_atom":-9.126817428181818,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.17198342,"band_gap":0.0643999999999991,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007249,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.663000Z","spacegroup":227},{"id":"mp-560791","created_at":"2022-09-04T14:40:43.908052Z","structure_string":"Cs2 Na2 Ti2 O6\n1.0\n3.037603 -5.697206 0.000000\n3.037603 5.697206 0.000000\n0.000000 0.000000 5.671140\nCs Na Ti O\n2 2 2 6\ndirect\n0.732337 0.267663 0.750000 Cs\n0.267663 0.732337 0.250000 Cs\n0.573817 0.426183 0.250000 Na\n0.426183 0.573817 0.750000 Na\n0.951126 0.048874 0.250000 Ti\n0.048874 0.951126 0.750000 Ti\n0.795766 0.204234 0.250000 O\n0.210717 0.210717 0.000000 O\n0.789283 0.789283 0.500000 O\n0.210717 0.210717 0.500000 O\n0.789283 0.789283 0.000000 O\n0.204234 0.795766 0.750000 O\n","nsites":12,"nelements":4,"elements":["Cs","Na","Ti","O"],"chemical_system":"Cs-Na-O-Ti","density":4.259643459179742,"density_atomic":0.06113472257607516,"volume":196.28779676013698,"volume_molar":9.850606179665142,"formula_full":"Cs2 Na2 Ti2 O6","formula_reduced":"CsNaTiO3","formula_anonymous":"ABCD3","energy":-82.88262965,"energy_per_atom":-6.9068858041666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.76062965,"band_gap":3.3618,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003223,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.087000Z","spacegroup":63},{"id":"mp-557603","created_at":"2022-09-04T14:40:43.347848Z","structure_string":"K8 Mo4 H8 C8 O32\n1.0\n12.949946 0.000000 0.000000\n0.000000 7.661045 0.000000\n0.000000 0.612190 8.822646\nK Mo H C O\n8 4 8 8 32\ndirect\n0.888461 0.686378 0.895204 K\n0.111539 0.313622 0.104796 K\n0.014452 0.774904 0.360881 K\n0.485548 0.274904 0.360881 K\n0.985548 0.225096 0.639119 K\n0.611539 0.186378 0.895204 K\n0.514452 0.725096 0.639119 K\n0.388461 0.813622 0.104796 K\n0.764995 0.939014 0.555307 Mo\n0.735005 0.439014 0.555307 Mo\n0.264995 0.560986 0.444693 Mo\n0.235005 0.060986 0.444693 Mo\n0.379866 0.238400 0.045988 H\n0.879866 0.261600 0.954012 H\n0.385327 0.434393 0.994958 H\n0.114673 0.934393 0.994958 H\n0.885327 0.065607 0.005042 H\n0.120134 0.738400 0.045988 H\n0.620134 0.761600 0.954012 H\n0.614673 0.565607 0.005042 H\n0.247754 0.571991 0.792133 C\n0.747754 0.928009 0.207867 C\n0.363832 0.032719 0.737412 C\n0.136168 0.532719 0.737412 C\n0.252246 0.071991 0.792133 C\n0.636168 0.967281 0.262588 C\n0.863832 0.467281 0.262588 C\n0.752246 0.428009 0.207867 C\n0.607919 0.378885 0.611788 O\n0.220687 0.822659 0.477081 O\n0.125704 0.529821 0.592596 O\n0.392081 0.621115 0.388212 O\n0.934128 0.498608 0.168289 O\n0.565872 0.998608 0.168289 O\n0.184619 0.088617 0.686019 O\n0.065872 0.501392 0.831711 O\n0.691222 0.923226 0.723067 O\n0.625704 0.970179 0.407404 O\n0.927366 0.162069 0.958846 O\n0.234743 0.081032 0.930731 O\n0.892081 0.878885 0.611788 O\n0.808778 0.423226 0.723067 O\n0.279313 0.322659 0.477081 O\n0.734743 0.418968 0.069269 O\n0.572634 0.662069 0.958846 O\n0.191222 0.576774 0.276933 O\n0.308778 0.076774 0.276933 O\n0.265257 0.581032 0.930731 O\n0.815381 0.911383 0.313981 O\n0.874296 0.470179 0.407404 O\n0.315381 0.588617 0.686019 O\n0.374296 0.029821 0.592596 O\n0.107919 0.121115 0.388212 O\n0.434128 0.001392 0.831711 O\n0.720687 0.677341 0.522919 O\n0.684619 0.411383 0.313981 O\n0.765257 0.918968 0.069269 O\n0.779313 0.177341 0.522919 O\n0.427366 0.337931 0.041154 O\n0.072634 0.837931 0.041154 O\n","nsites":60,"nelements":5,"elements":["K","Mo","H","C","O"],"chemical_system":"C-H-K-Mo-O","density":2.4903014623219826,"density_atomic":0.0685482584745009,"volume":875.2957600275032,"volume_molar":8.785257122528012,"formula_full":"K8 Mo4 H8 C8 O32","formula_reduced":"K2MoH2(CO4)2","formula_anonymous":"AB2C2D2E8","energy":-420.66176218,"energy_per_atom":-7.011029369666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.86976218,"band_gap":3.0134,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.41e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.075000Z","spacegroup":14},{"id":"mp-7611","created_at":"2022-09-04T14:40:43.399982Z","structure_string":"Li2 Ca1 Ge1 O4\n1.0\n-2.579548 2.579548 3.415212\n2.579548 -2.579548 3.415212\n2.579548 2.579548 -3.415212\nLi Ca Ge O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ge\n0.940857 0.348293 0.000000 O\n0.348293 0.940857 0.000000 O\n0.651707 0.651707 0.592563 O\n0.059143 0.059143 0.407437 O\n","nsites":8,"nelements":4,"elements":["Li","Ca","Ge","O"],"chemical_system":"Ca-Ge-Li-O","density":3.4817825060824297,"density_atomic":0.08800859760911979,"volume":90.90020994915852,"volume_molar":6.842673242842314,"formula_full":"Li2 Ca1 Ge1 O4","formula_reduced":"Li2CaGeO4","formula_anonymous":"ABC2D4","energy":-51.07240214,"energy_per_atom":-6.3840502675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.32440214,"band_gap":4.1135,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.913000Z","spacegroup":121},{"id":"mp-1203855","created_at":"2022-09-04T14:40:43.402278Z","structure_string":"Li4 Yb32 Ge52\n1.0\n11.077368 0.000000 0.000000\n0.000000 11.562136 0.000000\n0.000000 4.479740 15.241971\nLi Yb Ge\n4 32 52\ndirect\n0.080914 0.880969 0.629604 Li\n0.580914 0.119031 0.870396 Li\n0.919086 0.119031 0.370396 Li\n0.419086 0.880969 0.129604 Li\n0.853979 0.619548 0.197645 Yb\n0.353979 0.380452 0.302355 Yb\n0.146021 0.380452 0.802355 Yb\n0.646021 0.619548 0.697645 Yb\n0.982620 0.629257 0.567765 Yb\n0.482620 0.370743 0.932235 Yb\n0.017380 0.370743 0.432235 Yb\n0.517380 0.629257 0.067765 Yb\n0.810467 0.882437 0.318222 Yb\n0.310467 0.117563 0.181778 Yb\n0.189533 0.117563 0.681778 Yb\n0.689533 0.882437 0.818222 Yb\n0.229098 0.596372 0.929848 Yb\n0.729098 0.403628 0.570152 Yb\n0.770902 0.403628 0.070152 Yb\n0.270902 0.596372 0.429848 Yb\n0.937358 0.642942 0.826598 Yb\n0.437358 0.357058 0.673402 Yb\n0.062642 0.357058 0.173402 Yb\n0.562642 0.642942 0.326598 Yb\n0.012454 0.855093 0.957844 Yb\n0.512454 0.144907 0.542156 Yb\n0.987546 0.144907 0.042156 Yb\n0.487546 0.855093 0.457844 Yb\n0.109532 0.834773 0.196827 Yb\n0.609532 0.165227 0.303173 Yb\n0.890468 0.165227 0.803173 Yb\n0.390468 0.834773 0.696827 Yb\n0.143712 0.904297 0.400011 Yb\n0.643712 0.095703 0.099989 Yb\n0.856288 0.095703 0.599989 Yb\n0.356288 0.904297 0.900011 Yb\n0.815616 0.575229 0.395894 Ge\n0.315616 0.424771 0.104106 Ge\n0.184384 0.424771 0.604106 Ge\n0.684384 0.575229 0.895894 Ge\n0.159335 0.833643 0.797102 Ge\n0.659335 0.166357 0.702898 Ge\n0.840665 0.166357 0.202898 Ge\n0.340665 0.833643 0.297102 Ge\n0.956639 0.933311 0.760779 Ge\n0.456639 0.066689 0.739221 Ge\n0.043361 0.066689 0.239221 Ge\n0.543361 0.933311 0.260779 Ge\n0.250361 0.743684 0.060722 Ge\n0.750361 0.256316 0.439278 Ge\n0.749639 0.256316 0.939278 Ge\n0.249639 0.743684 0.560722 Ge\n0.919673 0.903682 0.499030 Ge\n0.419673 0.096318 0.000970 Ge\n0.080327 0.096318 0.500970 Ge\n0.580327 0.903682 0.999030 Ge\n0.212847 0.989492 0.038465 Ge\n0.712847 0.010508 0.461535 Ge\n0.787153 0.010508 0.961535 Ge\n0.287153 0.989492 0.538465 Ge\n0.018127 0.672558 0.362757 Ge\n0.518127 0.327442 0.137243 Ge\n0.981873 0.327442 0.637243 Ge\n0.481873 0.672558 0.862757 Ge\n0.846596 0.811694 0.662111 Ge\n0.346596 0.188306 0.837889 Ge\n0.153404 0.188306 0.337889 Ge\n0.653404 0.811694 0.162111 Ge\n0.992155 0.586048 0.036714 Ge\n0.492155 0.413952 0.463286 Ge\n0.007845 0.413952 0.963286 Ge\n0.507845 0.586048 0.536714 Ge\n0.122661 0.550864 0.271001 Ge\n0.622661 0.449136 0.228999 Ge\n0.877339 0.449136 0.728999 Ge\n0.377339 0.550864 0.771001 Ge\n0.783054 0.693305 0.992983 Ge\n0.283054 0.306695 0.507017 Ge\n0.216946 0.306695 0.007017 Ge\n0.716946 0.693305 0.492983 Ge\n0.863591 0.903950 0.118742 Ge\n0.363591 0.096050 0.381258 Ge\n0.136409 0.096050 0.881258 Ge\n0.636409 0.903950 0.618742 Ge\n0.327369 0.655394 0.219704 Ge\n0.827369 0.344606 0.280296 Ge\n0.672631 0.344606 0.780296 Ge\n0.172631 0.655394 0.719704 Ge\n","nsites":88,"nelements":3,"elements":["Li","Yb","Ge"],"chemical_system":"Ge-Li-Yb","density":7.946725915162614,"density_atomic":0.04507823300897371,"volume":1952.161700359503,"volume_molar":13.359309711188486,"formula_full":"Li4 Yb32 Ge52","formula_reduced":"LiYb8Ge13","formula_anonymous":"AB8C13","energy":-342.3314634,"energy_per_atom":-3.8901302659090913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-342.3314634,"band_gap":0.0029000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0208527,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.568000Z","spacegroup":14},{"id":"mp-760629","created_at":"2022-09-04T14:40:43.417403Z","structure_string":"Li2 Bi2 P4 O14\n1.0\n8.805755 0.000000 0.000000\n0.000000 4.975532 0.000000\n0.000000 1.513515 6.855121\nLi Bi P O\n2 2 4 14\ndirect\n0.483035 0.398709 0.787081 Li\n0.983035 0.601291 0.212919 Li\n0.875744 0.572810 0.750731 Bi\n0.375744 0.427190 0.249269 Bi\n0.186464 0.862354 0.490170 P\n0.784307 0.128498 0.091810 P\n0.284307 0.871502 0.908190 P\n0.686464 0.137646 0.509830 P\n0.301888 0.174954 0.898828 O\n0.687528 0.288588 0.916063 O\n0.038375 0.720504 0.456196 O\n0.334661 0.724672 0.440936 O\n0.688208 0.827410 0.600350 O\n0.432784 0.708502 0.911975 O\n0.179796 0.826423 0.724754 O\n0.679796 0.173577 0.275246 O\n0.932784 0.291498 0.088025 O\n0.188208 0.172590 0.399650 O\n0.834661 0.275328 0.559064 O\n0.538375 0.279496 0.543804 O\n0.187528 0.711412 0.083937 O\n0.801888 0.825046 0.101172 O\n","nsites":22,"nelements":4,"elements":["Li","Bi","P","O"],"chemical_system":"Bi-Li-O-P","density":4.310938103089179,"density_atomic":0.07324895514466763,"volume":300.3455811287645,"volume_molar":8.22146984637009,"formula_full":"Li2 Bi2 P4 O14","formula_reduced":"LiBiP2O7","formula_anonymous":"ABC2D7","energy":-157.20613767999998,"energy_per_atom":-7.14573353090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.58813768,"band_gap":3.2927,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000145,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.985000Z","spacegroup":4},{"id":"mp-1216550","created_at":"2022-09-04T14:40:43.423485Z","structure_string":"Tl1 Bi1 F4\n1.0\n4.041372 0.000000 0.000000\n0.000000 4.041372 0.000000\n0.000000 0.000000 6.659086\nTl Bi F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n0.500000 0.000000 0.696888 F\n0.000000 0.500000 0.303112 F\n0.500000 0.000000 0.303112 F\n0.000000 0.500000 0.696888 F\n","nsites":6,"nelements":3,"elements":["Tl","Bi","F"],"chemical_system":"Bi-F-Tl","density":7.47141568889096,"density_atomic":0.055166949540094004,"volume":108.76077162177229,"volume_molar":10.916211264542104,"formula_full":"Tl1 Bi1 F4","formula_reduced":"TlBiF4","formula_anonymous":"ABC4","energy":-29.00941723,"energy_per_atom":-4.834902871666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.16141723,"band_gap":3.3516,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000268,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.497000Z","spacegroup":123},{"id":"mp-1185951","created_at":"2022-09-04T14:40:43.447247Z","structure_string":"Mn3 Br1\n1.0\n-1.970031 1.970031 4.406237\n1.970031 -1.970031 4.406237\n1.970031 1.970031 -4.406237\nMn Br\n3 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":2,"elements":["Mn","Br"],"chemical_system":"Br-Mn","density":5.9407501409369825,"density_atomic":0.05847712688898316,"volume":68.40281342128631,"volume_molar":10.298284270075083,"formula_full":"Mn3 Br1","formula_reduced":"Mn3Br","formula_anonymous":"AB3","energy":-26.92374403,"energy_per_atom":-6.7309360075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.38974403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.2351348,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.445000Z","spacegroup":139}]}