{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10180","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10178","results":[{"id":"mp-754009","created_at":"2022-09-04T14:46:09.462119Z","structure_string":"Sc2 Bi2 O6\n1.0\n5.163990 -2.891555 0.000000\n5.163990 2.891555 0.000000\n3.544875 0.000000 4.739382\nSc Bi O\n2 2 6\ndirect\n0.779480 0.779480 0.779480 Sc\n0.279480 0.279480 0.279480 Sc\n0.994231 0.994231 0.994231 Bi\n0.494231 0.494231 0.494231 Bi\n0.121246 0.572592 0.954026 O\n0.072592 0.621246 0.454026 O\n0.454026 0.072592 0.621246 O\n0.954026 0.121246 0.572592 O\n0.572592 0.954026 0.121246 O\n0.621246 0.454026 0.072592 O\n","nsites":10,"nelements":3,"elements":["Sc","Bi","O"],"chemical_system":"Bi-O-Sc","density":7.08472976865481,"density_atomic":0.07065313541922247,"volume":141.5365353662609,"volume_molar":8.523529386583412,"formula_full":"Sc2 Bi2 O6","formula_reduced":"ScBiO3","formula_anonymous":"ABC3","energy":-77.97074837,"energy_per_atom":-7.797074836999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.84874837,"band_gap":2.8385,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.57e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:14.397000Z","spacegroup":161},{"id":"mp-757732","created_at":"2022-09-04T14:46:09.486607Z","structure_string":"Li1 Fe1 P3 O9\n1.0\n3.742504 -5.160188 0.000000\n3.742504 5.160188 0.000000\n-3.372395 0.000000 5.409329\nLi Fe P O\n1 1 3 9\ndirect\n0.527385 0.527385 0.527385 Li\n0.993205 0.993205 0.993205 Fe\n0.971090 0.098512 0.518556 P\n0.098512 0.518556 0.971090 P\n0.518556 0.971090 0.098512 P\n0.739351 0.139789 0.374041 O\n0.915653 0.612810 0.881402 O\n0.369836 0.109343 0.063110 O\n0.109343 0.063110 0.369836 O\n0.881402 0.915653 0.612810 O\n0.139789 0.374041 0.739351 O\n0.612810 0.881402 0.915653 O\n0.063110 0.369836 0.109343 O\n0.374041 0.739351 0.139789 O\n","nsites":14,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.3819760126479985,"density_atomic":0.06700802935919382,"volume":208.93018544021893,"volume_molar":8.98719275524215,"formula_full":"Li1 Fe1 P3 O9","formula_reduced":"LiFe(PO3)3","formula_anonymous":"ABC3D9","energy":-105.98723572,"energy_per_atom":-7.570516837142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.54823572,"band_gap":3.4388000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0003123,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.799000Z","spacegroup":146},{"id":"mp-581174","created_at":"2022-09-04T14:46:09.416874Z","structure_string":"K2 V8 O21\n1.0\n1.815626 7.675971 0.000000\n-1.815626 7.675971 0.000000\n0.000000 0.286250 15.087599\nK V O\n2 8 21\ndirect\n0.526397 0.526397 0.688117 K\n0.473603 0.473603 0.311883 K\n0.688441 0.688441 0.929066 V\n0.091072 0.091072 0.074554 V\n0.830584 0.830584 0.521187 V\n0.189831 0.189831 0.269678 V\n0.908928 0.908928 0.925446 V\n0.169416 0.169416 0.478813 V\n0.311559 0.311559 0.070934 V\n0.810169 0.810169 0.730322 V\n0.787371 0.787371 0.860101 O\n0.291241 0.291241 0.526448 O\n0.383020 0.383020 0.952607 O\n0.954709 0.954709 0.825863 O\n0.045291 0.045291 0.174137 O\n0.884993 0.884993 0.623351 O\n0.286881 0.286881 0.311024 O\n0.336366 0.336366 0.739541 O\n0.906108 0.906108 0.443178 O\n0.194213 0.194213 0.966578 O\n0.386918 0.386918 0.144398 O\n0.115007 0.115007 0.376649 O\n0.708759 0.708759 0.473552 O\n0.713119 0.713119 0.688976 O\n0.000000 0.000000 0.000000 O\n0.616980 0.616980 0.047393 O\n0.212629 0.212629 0.139899 O\n0.663634 0.663634 0.260459 O\n0.093892 0.093892 0.556822 O\n0.613082 0.613082 0.855602 O\n0.805787 0.805787 0.033422 O\n","nsites":31,"nelements":3,"elements":["K","V","O"],"chemical_system":"K-O-V","density":3.2445987297430925,"density_atomic":0.07371431714563888,"volume":420.54245634199754,"volume_molar":8.169567314992465,"formula_full":"K2 V8 O21","formula_reduced":"K2V8O21","formula_anonymous":"A2B8C21","energy":-251.25351048,"energy_per_atom":-8.104951950967742,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-223.22651048,"band_gap":1.2496,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0045211,"is_theoretical":false,"updated_at":"2021-11-28T01:37:18.877000Z","spacegroup":12},{"id":"mp-559498","created_at":"2022-09-04T14:46:09.420128Z","structure_string":"K36 Bi20 O52\n1.0\n5.823387 0.000000 0.000000\n0.000000 15.376802 0.000000\n0.000000 9.810509 25.515879\nK Bi O\n36 20 52\ndirect\n0.759384 0.525497 0.800406 K\n0.240616 0.474503 0.199594 K\n0.263899 0.122342 0.802257 K\n0.763899 0.877658 0.697743 K\n0.768533 0.441143 0.114210 K\n0.249366 0.767698 0.418849 K\n0.731467 0.441143 0.614210 K\n0.745039 0.357925 0.939503 K\n0.313610 0.828728 0.600170 K\n0.755873 0.805926 0.997402 K\n0.250440 0.702293 0.740433 K\n0.749560 0.297707 0.259567 K\n0.186390 0.828728 0.100170 K\n0.754222 0.088655 0.218304 K\n0.254961 0.642075 0.060497 K\n0.749366 0.232302 0.081151 K\n0.686390 0.171272 0.399830 K\n0.744127 0.805926 0.497402 K\n0.254222 0.911345 0.281696 K\n0.245039 0.642075 0.560497 K\n0.244127 0.194074 0.002598 K\n0.231467 0.558857 0.885790 K\n0.268533 0.558857 0.385790 K\n0.236101 0.122342 0.302257 K\n0.259384 0.474503 0.699594 K\n0.750634 0.232302 0.581151 K\n0.255873 0.194074 0.502598 K\n0.754961 0.357925 0.439503 K\n0.750440 0.297707 0.759567 K\n0.250634 0.767698 0.918849 K\n0.813610 0.171272 0.899830 K\n0.745778 0.088655 0.718304 K\n0.736101 0.877658 0.197743 K\n0.740616 0.525497 0.300406 K\n0.245778 0.911345 0.781696 K\n0.249560 0.702293 0.240433 K\n0.778928 0.577093 0.468815 Bi\n0.797178 0.636737 0.662671 Bi\n0.242735 0.261255 0.161207 Bi\n0.738509 0.960625 0.864599 Bi\n0.202822 0.363263 0.337329 Bi\n0.761491 0.960625 0.364599 Bi\n0.721072 0.577093 0.968815 Bi\n0.201322 0.975150 0.458714 Bi\n0.257265 0.261255 0.661207 Bi\n0.701322 0.024850 0.041286 Bi\n0.798678 0.024850 0.541286 Bi\n0.297178 0.363263 0.837329 Bi\n0.298678 0.975150 0.958714 Bi\n0.261491 0.039375 0.135401 Bi\n0.238509 0.039375 0.635401 Bi\n0.742735 0.738745 0.338793 Bi\n0.757265 0.738745 0.838793 Bi\n0.278928 0.422907 0.031185 Bi\n0.702822 0.636737 0.162671 Bi\n0.221072 0.422907 0.531185 Bi\n0.268953 0.102721 0.196892 O\n0.744336 0.496292 0.699055 O\n0.299544 0.299610 0.286498 O\n0.769528 0.556466 0.397083 O\n0.755664 0.496292 0.199055 O\n0.661356 0.681701 0.589163 O\n0.375534 0.957014 0.876627 O\n0.838644 0.681701 0.089163 O\n0.836854 0.991497 0.462251 O\n0.357030 0.657564 0.153941 O\n0.264180 0.900103 0.684852 O\n0.235820 0.900103 0.184852 O\n0.743348 0.736445 0.917529 O\n0.256652 0.263555 0.082471 O\n0.142970 0.657564 0.653941 O\n0.200456 0.299610 0.786498 O\n0.762961 0.166506 0.500595 O\n0.768953 0.897279 0.303108 O\n0.244336 0.503708 0.800945 O\n0.799544 0.700390 0.213502 O\n0.391945 0.734151 0.329591 O\n0.624466 0.042986 0.123373 O\n0.737039 0.166506 0.000595 O\n0.639103 0.415704 0.021100 O\n0.262961 0.833494 0.999405 O\n0.700456 0.700390 0.713502 O\n0.108055 0.734151 0.829591 O\n0.642970 0.342436 0.846059 O\n0.163146 0.008503 0.537749 O\n0.161356 0.318299 0.910837 O\n0.857030 0.342436 0.346059 O\n0.338644 0.318299 0.410837 O\n0.764180 0.099897 0.815148 O\n0.243348 0.263555 0.582471 O\n0.735820 0.099897 0.315148 O\n0.336854 0.008503 0.037749 O\n0.124466 0.957014 0.376627 O\n0.891945 0.265849 0.170409 O\n0.860897 0.415704 0.521100 O\n0.730472 0.556466 0.897083 O\n0.756652 0.736445 0.417529 O\n0.875534 0.042986 0.623373 O\n0.230472 0.443534 0.602917 O\n0.231047 0.102721 0.696892 O\n0.360897 0.584296 0.978900 O\n0.255664 0.503708 0.300945 O\n0.237039 0.833494 0.499405 O\n0.269528 0.443534 0.102917 O\n0.139103 0.584296 0.478900 O\n0.608055 0.265849 0.670409 O\n0.663146 0.991497 0.962251 O\n0.731047 0.897279 0.803108 O\n","nsites":108,"nelements":3,"elements":["K","Bi","O"],"chemical_system":"Bi-K-O","density":4.665219534920951,"density_atomic":0.04726847016640262,"volume":2284.821142292098,"volume_molar":12.740291231765747,"formula_full":"K36 Bi20 O52","formula_reduced":"K9Bi5O13","formula_anonymous":"A5B9C13","energy":-557.31890264,"energy_per_atom":-5.16036020962963,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-521.59490264,"band_gap":0.8517999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2438315,"is_theoretical":false,"updated_at":"2021-11-28T01:37:22.814000Z","spacegroup":14},{"id":"mp-736232","created_at":"2022-09-04T14:46:09.430165Z","structure_string":"Be16 B8 O32\n1.0\n4.471131 0.000000 0.000000\n0.000000 9.594058 0.000000\n0.000000 0.000000 12.710965\nBe B O\n16 8 32\ndirect\n0.228523 0.506510 0.192607 Be\n0.771477 0.006510 0.307393 Be\n0.271477 0.493490 0.692607 Be\n0.728523 0.993490 0.807393 Be\n0.771477 0.493490 0.807393 Be\n0.228523 0.993490 0.692607 Be\n0.728523 0.506510 0.307393 Be\n0.271477 0.006510 0.192607 Be\n0.214187 0.740077 0.065697 Be\n0.785813 0.240077 0.434303 Be\n0.285813 0.259923 0.565697 Be\n0.714187 0.759923 0.934303 Be\n0.785813 0.259923 0.934303 Be\n0.214187 0.759923 0.565697 Be\n0.714187 0.740077 0.434303 Be\n0.285813 0.240077 0.065697 Be\n0.719198 0.614277 0.113091 B\n0.280802 0.114277 0.386909 B\n0.780802 0.385723 0.613091 B\n0.219198 0.885723 0.886909 B\n0.280802 0.385723 0.886909 B\n0.719198 0.885723 0.613091 B\n0.219198 0.614277 0.386909 B\n0.780802 0.114277 0.113091 B\n0.870990 0.540393 0.189213 O\n0.129010 0.040393 0.310787 O\n0.629010 0.459607 0.689213 O\n0.370990 0.959607 0.810787 O\n0.129010 0.459607 0.810787 O\n0.870990 0.959607 0.689213 O\n0.370990 0.540393 0.310787 O\n0.629010 0.040393 0.189213 O\n0.410570 0.609021 0.110036 O\n0.589430 0.109021 0.389964 O\n0.089430 0.390979 0.610036 O\n0.910570 0.890979 0.889964 O\n0.589430 0.390979 0.889964 O\n0.410570 0.890979 0.610036 O\n0.910570 0.609021 0.389964 O\n0.089430 0.109021 0.110036 O\n0.870697 0.694003 0.039895 O\n0.129303 0.194003 0.460105 O\n0.629303 0.305997 0.539895 O\n0.370697 0.805997 0.960105 O\n0.129303 0.305997 0.960105 O\n0.870697 0.805997 0.539895 O\n0.370697 0.694003 0.460105 O\n0.629303 0.194003 0.039895 O\n0.305139 0.348645 0.161726 O\n0.694861 0.848645 0.338274 O\n0.194861 0.651355 0.661726 O\n0.805139 0.151355 0.838274 O\n0.694861 0.651355 0.838274 O\n0.305139 0.151355 0.661726 O\n0.805139 0.348645 0.338274 O\n0.194861 0.848645 0.161726 O\n","nsites":56,"nelements":3,"elements":["Be","B","O"],"chemical_system":"B-Be-O","density":2.261741904100542,"density_atomic":0.10270457032691098,"volume":545.2532425942753,"volume_molar":5.863556744194917,"formula_full":"Be16 B8 O32","formula_reduced":"Be2BO4","formula_anonymous":"AB2C4","energy":-422.24001667,"energy_per_atom":-7.540000297678572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-400.25601667,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0159567,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.715000Z","spacegroup":61},{"id":"mp-558580","created_at":"2022-09-04T14:46:09.436055Z","structure_string":"Na4 Zn2 Si4 O12\n1.0\n4.819358 3.122284 0.000000\n-4.819358 3.122284 0.000000\n0.000000 0.458345 10.034814\nNa Zn Si O\n4 2 4 12\ndirect\n0.256933 0.614666 0.103805 Na\n0.385334 0.743067 0.396195 Na\n0.743067 0.385334 0.896195 Na\n0.614666 0.256933 0.603805 Na\n0.724225 0.275775 0.250000 Zn\n0.275775 0.724225 0.750000 Zn\n0.858687 0.839106 0.137930 Si\n0.141313 0.160894 0.862070 Si\n0.839106 0.858687 0.637930 Si\n0.160894 0.141313 0.362070 Si\n0.085329 0.914671 0.250000 O\n0.462777 0.230323 0.390861 O\n0.083416 0.370187 0.311088 O\n0.537223 0.769677 0.609139 O\n0.230323 0.462777 0.890861 O\n0.769677 0.537223 0.109139 O\n0.916584 0.629813 0.688912 O\n0.000000 0.000000 0.500000 O\n0.370187 0.083416 0.811088 O\n0.629813 0.916584 0.188912 O\n0.914671 0.085329 0.750000 O\n0.000000 0.000000 0.000000 O\n","nsites":22,"nelements":4,"elements":["Na","Zn","Si","O"],"chemical_system":"Na-O-Si-Zn","density":2.898351039382191,"density_atomic":0.072848693281943,"volume":301.9958081451701,"volume_molar":8.266642116273495,"formula_full":"Na4 Zn2 Si4 O12","formula_reduced":"Na2Zn(SiO3)2","formula_anonymous":"AB2C2D6","energy":-148.47372467,"energy_per_atom":-6.748805666818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.22972467,"band_gap":3.6116,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.001472,"is_theoretical":false,"updated_at":"2021-11-28T01:37:17.738000Z","spacegroup":15},{"id":"mp-1025473","created_at":"2022-09-04T14:46:09.445618Z","structure_string":"Li4 Nd2 Ge2\n1.0\n2.180138 -3.776109 0.000000\n2.180138 3.776109 0.000000\n0.000000 0.000000 9.495209\nLi Nd Ge\n4 2 2\ndirect\n0.333333 0.666667 0.565255 Li\n0.666667 0.333333 0.434745 Li\n0.666667 0.333333 0.065255 Li\n0.333333 0.666667 0.934745 Li\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n","nsites":8,"nelements":3,"elements":["Li","Nd","Ge"],"chemical_system":"Ge-Li-Nd","density":4.902122057291231,"density_atomic":0.05117135959146226,"volume":156.3374525099538,"volume_molar":11.768576813434462,"formula_full":"Li4 Nd2 Ge2","formula_reduced":"Li2NdGe","formula_anonymous":"ABC2","energy":-29.20755762,"energy_per_atom":-3.6509447025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.20755762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7835616,"is_theoretical":false,"updated_at":"2021-11-28T01:37:24.981000Z","spacegroup":194},{"id":"mp-555189","created_at":"2022-09-04T14:46:09.452454Z","structure_string":"Rb8 Li4 C12 S12 O36 F36\n1.0\n16.594662 0.000000 0.000000\n0.000000 5.426133 0.000000\n0.000000 5.306234 20.045509\nRb Li C S O F\n8 4 12 12 36 36\ndirect\n0.375537 0.536255 0.987649 Rb\n0.841769 0.174126 0.723439 Rb\n0.875537 0.463745 0.512351 Rb\n0.624463 0.463745 0.012351 Rb\n0.658231 0.174126 0.223439 Rb\n0.341769 0.825874 0.776561 Rb\n0.158231 0.825874 0.276561 Rb\n0.124463 0.536255 0.487649 Rb\n0.232280 0.955832 0.574989 Li\n0.267720 0.955832 0.074989 Li\n0.732280 0.044168 0.925011 Li\n0.767720 0.044168 0.425011 Li\n0.089614 0.450928 0.097180 C\n0.410386 0.450928 0.597180 C\n0.641376 0.806703 0.610221 C\n0.589614 0.549072 0.402820 C\n0.858624 0.806703 0.110221 C\n0.551901 0.298642 0.806126 C\n0.051901 0.701358 0.693874 C\n0.948099 0.298642 0.306126 C\n0.358624 0.193297 0.389779 C\n0.141376 0.193297 0.889779 C\n0.910386 0.549072 0.902820 C\n0.448099 0.701358 0.193874 C\n0.750521 0.865488 0.589570 S\n0.032976 0.903003 0.607469 S\n0.250521 0.134512 0.910430 S\n0.249479 0.134512 0.410430 S\n0.692971 0.602451 0.365843 S\n0.467024 0.903003 0.107469 S\n0.749479 0.865488 0.089570 S\n0.967024 0.096997 0.392531 S\n0.532976 0.096997 0.892531 S\n0.307029 0.397549 0.634157 S\n0.192971 0.397549 0.134157 S\n0.807029 0.602451 0.865843 S\n0.183112 0.430228 0.201182 O\n0.745140 0.865857 0.018703 O\n0.792663 0.651820 0.633375 O\n0.501523 0.275132 0.928402 O\n0.886361 0.999042 0.414918 O\n0.316888 0.430228 0.701182 O\n0.245140 0.134143 0.481297 O\n0.523256 0.096779 0.116998 O\n0.707337 0.651820 0.133375 O\n0.754860 0.865857 0.518703 O\n0.001523 0.724868 0.571598 O\n0.257114 0.589754 0.589031 O\n0.233859 0.886263 0.397844 O\n0.766141 0.113737 0.602156 O\n0.733859 0.113737 0.102156 O\n0.113639 0.000958 0.585082 O\n0.613639 0.999042 0.914918 O\n0.292663 0.348180 0.866625 O\n0.386361 0.000958 0.085082 O\n0.207337 0.348180 0.366625 O\n0.254860 0.134143 0.981297 O\n0.683112 0.569772 0.298818 O\n0.288211 0.134524 0.632808 O\n0.816888 0.569772 0.798818 O\n0.498477 0.724868 0.071598 O\n0.976744 0.096779 0.616998 O\n0.476744 0.903221 0.883002 O\n0.711789 0.865476 0.367192 O\n0.211789 0.134524 0.132808 O\n0.742886 0.410246 0.410969 O\n0.998477 0.275132 0.428402 O\n0.266141 0.886263 0.897844 O\n0.023256 0.903221 0.383002 O\n0.757114 0.410246 0.910969 O\n0.242886 0.589754 0.089031 O\n0.788211 0.865476 0.867192 O\n0.038339 0.275911 0.134176 F\n0.120455 0.431549 0.892261 F\n0.620455 0.568451 0.607739 F\n0.626684 0.830449 0.672779 F\n0.563727 0.312885 0.402100 F\n0.436273 0.687115 0.597900 F\n0.411077 0.429784 0.533871 F\n0.379545 0.431549 0.392261 F\n0.588923 0.570216 0.466129 F\n0.961661 0.724089 0.865824 F\n0.879545 0.568451 0.107739 F\n0.936273 0.312885 0.902100 F\n0.126684 0.169551 0.827221 F\n0.873316 0.830449 0.172779 F\n0.904871 0.976943 0.066821 F\n0.595129 0.976943 0.566821 F\n0.461661 0.275911 0.634176 F\n0.373316 0.169551 0.327221 F\n0.981253 0.600459 0.722655 F\n0.897497 0.492504 0.307278 F\n0.538339 0.724089 0.365824 F\n0.602503 0.492504 0.807278 F\n0.911077 0.570216 0.966129 F\n0.018747 0.399541 0.277345 F\n0.063727 0.687115 0.097900 F\n0.915445 0.158016 0.267426 F\n0.518747 0.600459 0.222655 F\n0.397497 0.507496 0.192722 F\n0.415445 0.841984 0.232574 F\n0.095129 0.023057 0.933179 F\n0.102503 0.507496 0.692722 F\n0.404871 0.023057 0.433179 F\n0.584555 0.158016 0.767426 F\n0.481253 0.399541 0.777345 F\n0.088923 0.429784 0.033871 F\n0.084555 0.841984 0.732574 F\n","nsites":108,"nelements":6,"elements":["Rb","Li","C","S","O","F"],"chemical_system":"C-F-Li-O-Rb-S","density":2.30023118918238,"density_atomic":0.059833970279129935,"volume":1804.994712805651,"volume_molar":10.064752066269817,"formula_full":"Rb8 Li4 C12 S12 O36 F36","formula_reduced":"Rb2LiC3S3(OF)9","formula_anonymous":"AB2C3D3E9F9","energy":-639.88883846,"energy_per_atom":-5.924896652407408,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-598.52483846,"band_gap":5.5914,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0349481,"is_theoretical":false,"updated_at":"2021-11-28T01:37:14.338000Z","spacegroup":14},{"id":"mp-1202382","created_at":"2022-09-04T14:46:09.456841Z","structure_string":"Mn4 Fe2 C28 O28\n1.0\n7.395143 6.177131 0.000000\n-7.395143 6.177131 0.000000\n0.000000 1.614117 11.918634\nMn Fe C O\n4 2 28 28\ndirect\n0.222089 0.222089 0.065925 Mn\n0.777911 0.777911 0.934075 Mn\n0.697767 0.302233 0.500000 Mn\n0.302233 0.697767 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.057456 0.057456 0.852538 C\n0.942544 0.942544 0.147462 C\n0.876285 0.123715 0.000000 C\n0.123715 0.876285 0.000000 C\n0.082054 0.259331 0.169443 C\n0.259331 0.082054 0.169443 C\n0.917946 0.740669 0.830557 C\n0.740669 0.917946 0.830557 C\n0.358792 0.358792 0.103665 C\n0.641208 0.641208 0.896335 C\n0.160792 0.343941 0.959490 C\n0.343941 0.160792 0.959490 C\n0.839208 0.656059 0.040510 C\n0.656059 0.839208 0.040510 C\n0.626265 0.626265 0.563268 C\n0.373735 0.373735 0.436732 C\n0.580433 0.580433 0.361834 C\n0.419567 0.419567 0.638166 C\n0.820582 0.179418 0.500000 C\n0.179418 0.820582 0.500000 C\n0.830562 0.459471 0.436474 C\n0.459471 0.830562 0.436474 C\n0.169438 0.540529 0.563526 C\n0.540529 0.169438 0.563526 C\n0.734018 0.350855 0.642926 C\n0.350855 0.734018 0.642926 C\n0.265982 0.649145 0.357074 C\n0.649145 0.265982 0.357074 C\n0.093583 0.093583 0.758748 O\n0.906417 0.906417 0.241252 O\n0.798086 0.201914 0.000000 O\n0.201914 0.798086 0.000000 O\n0.997178 0.285244 0.234575 O\n0.285244 0.997178 0.234575 O\n0.002822 0.714756 0.765425 O\n0.714756 0.002822 0.765425 O\n0.446574 0.446574 0.127963 O\n0.553426 0.553426 0.872037 O\n0.122579 0.424217 0.897459 O\n0.424217 0.122579 0.897459 O\n0.877421 0.575783 0.102541 O\n0.575783 0.877421 0.102541 O\n0.706607 0.706607 0.603131 O\n0.293393 0.293393 0.396869 O\n0.633396 0.633396 0.274911 O\n0.366604 0.366604 0.725089 O\n0.898835 0.101165 0.500000 O\n0.101165 0.898835 0.500000 O\n0.914572 0.556500 0.396650 O\n0.556500 0.914572 0.396650 O\n0.085428 0.443500 0.603350 O\n0.443500 0.085428 0.603350 O\n0.758947 0.378393 0.731843 O\n0.378393 0.758947 0.731843 O\n0.241053 0.621607 0.268157 O\n0.621607 0.241053 0.268157 O\n","nsites":62,"nelements":4,"elements":["Mn","Fe","C","O"],"chemical_system":"C-Fe-Mn-O","density":1.7014390135700002,"density_atomic":0.05693794941693693,"volume":1088.9046872059866,"volume_molar":10.576673065448746,"formula_full":"Mn4 Fe2 C28 O28","formula_reduced":"Mn2Fe(CO)14","formula_anonymous":"AB2C14D14","energy":-495.8251761,"energy_per_atom":-7.997180259677419,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-465.4051761,"band_gap":1.6566999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.86e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:22.190000Z","spacegroup":12},{"id":"mp-1214462","created_at":"2022-09-04T14:46:09.476438Z","structure_string":"Ca2 Zn4 Br12 O12\n1.0\n6.196932 5.279168 -1.902869\n6.196932 -5.279168 -1.902869\n-0.778050 0.000000 -11.456850\nCa Zn Br O\n2 4 12 12\ndirect\n0.651980 0.651980 0.706395 Ca\n0.348020 0.348020 0.293605 Ca\n0.239937 0.239937 0.668787 Zn\n0.760063 0.760063 0.331213 Zn\n0.032475 0.032475 0.241470 Zn\n0.967525 0.967525 0.758530 Zn\n0.125283 0.125283 0.864898 Br\n0.874717 0.874717 0.135102 Br\n0.663099 0.059640 0.828895 Br\n0.336900 0.940360 0.171105 Br\n0.940360 0.336900 0.171105 Br\n0.059640 0.663099 0.828895 Br\n0.101499 0.101499 0.560835 Br\n0.898501 0.898501 0.439165 Br\n0.542469 0.175665 0.577248 Br\n0.457531 0.824335 0.422752 Br\n0.824335 0.457531 0.422752 Br\n0.175665 0.542469 0.577248 Br\n0.169796 0.169796 0.297192 O\n0.830204 0.830204 0.702808 O\n0.505619 0.717742 0.908995 O\n0.494381 0.282258 0.091005 O\n0.282258 0.494381 0.091005 O\n0.717742 0.505619 0.908995 O\n0.478293 0.781484 0.577985 O\n0.521707 0.218516 0.422015 O\n0.218516 0.521707 0.422015 O\n0.781484 0.478293 0.577985 O\n0.387968 0.387968 0.028267 O\n0.612032 0.612032 0.971733 O\n","nsites":30,"nelements":4,"elements":["Ca","Zn","Br","O"],"chemical_system":"Br-Ca-O-Zn","density":3.2389281366133043,"density_atomic":0.03920310706749264,"volume":765.2454676194815,"volume_molar":15.3613864065218,"formula_full":"Ca2 Zn4 Br12 O12","formula_reduced":"CaZn2(BrO)6","formula_anonymous":"AB2C6D6","energy":-101.3487119,"energy_per_atom":-3.3782903966666664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.3487119,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9753978,"is_theoretical":true,"updated_at":"2021-11-28T01:37:27.979000Z","spacegroup":12},{"id":"mp-1041634","created_at":"2022-09-04T14:46:09.481279Z","structure_string":"Ca2 Ti2 P4 O14\n1.0\n6.242290 0.000000 0.000000\n2.500314 6.198754 0.000000\n0.292102 0.655535 7.223737\nCa Ti P O\n2 2 4 14\ndirect\n0.293707 0.713709 0.634433 Ca\n0.706293 0.286291 0.365567 Ca\n0.268049 0.127554 0.171458 Ti\n0.731951 0.872446 0.828542 Ti\n0.168429 0.657588 0.121415 P\n0.831571 0.342412 0.878585 P\n0.237583 0.218365 0.612223 P\n0.762417 0.781635 0.387777 P\n0.080315 0.732080 0.920242 O\n0.919685 0.267920 0.079758 O\n0.249268 0.814836 0.207221 O\n0.750732 0.185164 0.792779 O\n0.338237 0.420648 0.140743 O\n0.661763 0.579352 0.859257 O\n0.637043 0.630776 0.452385 O\n0.362957 0.369224 0.547615 O\n0.104984 0.168245 0.459812 O\n0.895016 0.831755 0.540188 O\n0.058313 0.350353 0.762917 O\n0.606336 0.998074 0.286315 O\n0.393664 0.001926 0.713685 O\n0.941687 0.649647 0.237083 O\n","nsites":22,"nelements":4,"elements":["Ca","Ti","P","O"],"chemical_system":"Ca-O-P-Ti","density":3.111608584968755,"density_atomic":0.07870682842928153,"volume":279.51831421802376,"volume_molar":7.651357423722039,"formula_full":"Ca2 Ti2 P4 O14","formula_reduced":"CaTiP2O7","formula_anonymous":"ABC2D7","energy":-174.26356439,"energy_per_atom":-7.921071108636363,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.64556439,"band_gap":0.1928,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9995248,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.439000Z","spacegroup":2},{"id":"mp-1048047","created_at":"2022-09-04T14:46:09.517417Z","structure_string":"Mg2 Fe8 O18\n1.0\n8.240905 0.000000 0.000000\n0.000000 8.240905 0.000000\n0.000000 0.000000 5.258937\nMg Fe O\n2 8 18\ndirect\n0.000000 0.500000 0.815423 Mg\n0.500000 0.000000 0.184577 Mg\n0.910027 0.780369 0.373557 Fe\n0.780369 0.089973 0.626443 Fe\n0.280369 0.589973 0.373557 Fe\n0.410027 0.280369 0.626443 Fe\n0.089973 0.219631 0.373557 Fe\n0.719631 0.410027 0.373557 Fe\n0.589973 0.719631 0.626443 Fe\n0.219631 0.910027 0.626443 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.297064 0.942709 0.951564 O\n0.557291 0.797064 0.951564 O\n0.442709 0.202936 0.951564 O\n0.702936 0.057291 0.951564 O\n0.202936 0.557291 0.048436 O\n0.942709 0.702936 0.048436 O\n0.057291 0.297064 0.048436 O\n0.797064 0.442709 0.048436 O\n0.895557 0.297149 0.555666 O\n0.202851 0.395557 0.555666 O\n0.797149 0.604443 0.555666 O\n0.104443 0.702851 0.555666 O\n0.395557 0.797149 0.444334 O\n0.297149 0.104443 0.444334 O\n0.702851 0.895557 0.444334 O\n0.604443 0.202851 0.444334 O\n","nsites":28,"nelements":3,"elements":["Mg","Fe","O"],"chemical_system":"Fe-Mg-O","density":3.6421871869192555,"density_atomic":0.07839895029015154,"volume":357.14763904839367,"volume_molar":7.681404837325354,"formula_full":"Mg2 Fe8 O18","formula_reduced":"MgFe4O9","formula_anonymous":"AB4C9","energy":-197.80906116,"energy_per_atom":-7.064609327142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-167.39506116,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0004322,"is_theoretical":true,"updated_at":"2021-11-28T01:37:19.015000Z","spacegroup":85}]}