{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10161","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10159","results":[{"id":"mp-31408","created_at":"2022-09-04T14:41:47.586868Z","structure_string":"Al4 B6 O15\n1.0\n3.990153 -5.793242 0.000000\n3.990153 5.793242 0.000000\n-4.420966 0.000000 5.471566\nAl B O\n4 6 15\ndirect\n0.085324 0.803097 0.291966 Al\n0.803097 0.291966 0.085324 Al\n0.291966 0.085324 0.803097 Al\n0.001442 0.001442 0.001442 Al\n0.173881 0.272555 0.500110 B\n0.272555 0.500110 0.173881 B\n0.500110 0.173881 0.272555 B\n0.599017 0.524241 0.857776 B\n0.524241 0.857776 0.599017 B\n0.857776 0.599017 0.524241 B\n0.076280 0.524043 0.104766 O\n0.690065 0.393473 0.498755 O\n0.498755 0.690065 0.393473 O\n0.393473 0.498755 0.690065 O\n0.104766 0.076280 0.524043 O\n0.239130 0.280074 0.027946 O\n0.027946 0.239130 0.280074 O\n0.015495 0.825148 0.742771 O\n0.742771 0.015495 0.825148 O\n0.825148 0.742771 0.015495 O\n0.577391 0.333979 0.879576 O\n0.879576 0.577391 0.333979 O\n0.333979 0.879576 0.577391 O\n0.280074 0.027946 0.239130 O\n0.524043 0.104766 0.076280 O\n","nsites":25,"nelements":3,"elements":["Al","B","O"],"chemical_system":"Al-B-O","density":2.7096812473374015,"density_atomic":0.09882962590586149,"volume":252.9605851570594,"volume_molar":6.093457002191115,"formula_full":"Al4 B6 O15","formula_reduced":"Al4(B2O5)3","formula_anonymous":"A4B6C15","energy":-206.36489534,"energy_per_atom":-8.2545958136,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.05989534,"band_gap":5.8173,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0039383,"is_theoretical":false,"updated_at":"2021-11-28T01:35:29.162000Z","spacegroup":146},{"id":"mp-771838","created_at":"2022-09-04T14:41:56.063638Z","structure_string":"La8 Al12 O30\n1.0\n2.527632 6.494058 0.000000\n-2.527632 6.494058 0.000000\n0.000000 1.356836 21.176806\nLa Al O\n8 12 30\ndirect\n0.663724 0.057252 0.049616 La\n0.642498 0.062114 0.852664 La\n0.040098 0.674836 0.548931 La\n0.062565 0.643796 0.351972 La\n0.937886 0.357502 0.147336 La\n0.942748 0.336276 0.950384 La\n0.356204 0.937435 0.648028 La\n0.317892 0.949987 0.451217 La\n0.205174 0.621330 0.164544 Al\n0.185390 0.650853 0.945192 Al\n0.648589 0.020306 0.225092 Al\n0.612249 0.209978 0.664853 Al\n0.640657 0.193994 0.444893 Al\n0.013141 0.653371 0.724511 Al\n0.979694 0.351411 0.774908 Al\n0.349147 0.814610 0.054808 Al\n0.378670 0.794826 0.835456 Al\n0.346629 0.986859 0.275489 Al\n0.798178 0.351617 0.555298 Al\n0.790022 0.387751 0.335147 Al\n0.125570 0.808603 0.870047 O\n0.561475 0.278954 0.171656 O\n0.534708 0.307449 0.947926 O\n0.018672 0.738379 0.238176 O\n0.799790 0.132302 0.369717 O\n0.271505 0.567459 0.671315 O\n0.022604 0.612239 0.111906 O\n0.299026 0.546112 0.447551 O\n0.730899 0.023498 0.738403 O\n0.908420 0.686988 0.957898 O\n0.089221 0.491471 0.802467 O\n0.508529 0.910779 0.197533 O\n0.606144 0.022334 0.613174 O\n0.675422 0.918017 0.459130 O\n0.313012 0.091580 0.042102 O\n0.387761 0.977396 0.888094 O\n0.484510 0.096679 0.302795 O\n0.903321 0.515490 0.697205 O\n0.075193 0.315153 0.541400 O\n0.261621 0.981328 0.761824 O\n0.692551 0.465292 0.052074 O\n0.965951 0.390138 0.388002 O\n0.721046 0.438525 0.828344 O\n0.191397 0.874430 0.129953 O\n0.117597 0.882403 0.000000 O\n0.976502 0.269101 0.261597 O\n0.453888 0.700974 0.552449 O\n0.432541 0.728495 0.328685 O\n0.867698 0.200210 0.630283 O\n0.866953 0.124362 0.500247 O\n","nsites":50,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":4.574023291592461,"density_atomic":0.07191997745304876,"volume":695.2171256260656,"volume_molar":8.37339077856554,"formula_full":"La8 Al12 O30","formula_reduced":"La4Al6O15","formula_anonymous":"A4B6C15","energy":-412.32675176,"energy_per_atom":-8.246535035199999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-391.71675176,"band_gap":1.9695,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00772,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.745000Z","spacegroup":1},{"id":"mp-756194","created_at":"2022-09-04T14:41:13.574335Z","structure_string":"Tm4 B6 O15\n1.0\n4.503959 -6.712471 0.000000\n4.503959 6.712471 0.000000\n-5.499966 0.000000 5.923958\nTm B O\n4 6 15\ndirect\n0.100905 0.800372 0.276156 Tm\n0.800372 0.276156 0.100905 Tm\n0.994062 0.994062 0.994062 Tm\n0.276156 0.100905 0.800372 Tm\n0.268472 0.499026 0.190719 B\n0.509812 0.850502 0.598472 B\n0.850502 0.598472 0.509812 B\n0.499026 0.190719 0.268472 B\n0.190719 0.268472 0.499026 B\n0.598472 0.509812 0.850502 B\n0.805257 0.718056 0.986244 O\n0.083846 0.501111 0.116697 O\n0.359069 0.893441 0.592781 O\n0.470044 0.684741 0.408163 O\n0.247043 0.311923 0.051067 O\n0.893441 0.592781 0.359069 O\n0.986244 0.805257 0.718056 O\n0.501111 0.116697 0.083846 O\n0.051067 0.247043 0.311923 O\n0.684741 0.408163 0.470044 O\n0.408163 0.470044 0.684741 O\n0.311923 0.051067 0.247043 O\n0.116697 0.083846 0.501111 O\n0.592781 0.359069 0.893441 O\n0.718056 0.986244 0.805257 O\n","nsites":25,"nelements":3,"elements":["Tm","B","O"],"chemical_system":"B-O-Tm","density":4.545895425138636,"density_atomic":0.06979449855580747,"volume":358.19442101170876,"volume_molar":8.628388891116847,"formula_full":"Tm4 B6 O15","formula_reduced":"Tm4(B2O5)3","formula_anonymous":"A4B6C15","energy":-215.15345313,"energy_per_atom":-8.6061381252,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.84845313,"band_gap":5.0617,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020772,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.300000Z","spacegroup":146},{"id":"mp-674522","created_at":"2022-09-04T14:43:07.192393Z","structure_string":"K18 U12 O45\n1.0\n4.454901 -6.250950 0.000000\n4.454901 6.250950 0.000000\n0.000000 0.000000 25.002530\nK U O\n18 12 45\ndirect\n0.750128 0.249872 0.000000 K\n0.000000 0.000000 0.880223 K\n0.000000 0.500000 0.874930 K\n0.249872 0.750128 0.000000 K\n0.249945 0.767709 0.746939 K\n0.500000 0.500000 0.620619 K\n0.750055 0.232291 0.746939 K\n0.500000 0.500000 0.884319 K\n0.741201 0.258799 0.500000 K\n0.000000 0.000000 0.370648 K\n0.258799 0.741201 0.500000 K\n0.000000 0.000000 0.629352 K\n0.500000 0.500000 0.115681 K\n0.232291 0.750055 0.253061 K\n0.500000 0.000000 0.125070 K\n0.500000 0.500000 0.379381 K\n0.767709 0.249945 0.253061 K\n0.000000 0.000000 0.119777 K\n0.243712 0.241803 0.749302 U\n0.249497 0.249497 0.000000 U\n0.500000 0.000000 0.875102 U\n0.743158 0.743158 0.500000 U\n0.756288 0.758197 0.749302 U\n0.750503 0.750503 0.000000 U\n0.000000 0.500000 0.624921 U\n0.256842 0.256842 0.500000 U\n0.500000 0.000000 0.375079 U\n0.758197 0.756288 0.250698 U\n0.000000 0.500000 0.124898 U\n0.241803 0.243712 0.250698 U\n0.856196 0.643473 0.945816 O\n0.874994 0.624285 0.064026 O\n0.000000 0.000000 0.000000 O\n0.155508 0.366896 0.801830 O\n0.356527 0.143804 0.054184 O\n0.366440 0.153692 0.696344 O\n0.375715 0.125006 0.935974 O\n0.382522 0.140115 0.808693 O\n0.125006 0.375715 0.064026 O\n0.143804 0.356527 0.945816 O\n0.655309 0.865644 0.552560 O\n0.285678 0.789067 0.872359 O\n0.714322 0.210933 0.872359 O\n0.865644 0.655309 0.447440 O\n0.500000 0.500000 0.000000 O\n0.624285 0.874994 0.935974 O\n0.882000 0.638862 0.560795 O\n0.860736 0.618403 0.688714 O\n0.617478 0.859885 0.808693 O\n0.633560 0.846308 0.696344 O\n0.643473 0.856196 0.054184 O\n0.790374 0.290401 0.625201 O\n0.366896 0.155508 0.198170 O\n0.209626 0.709599 0.625201 O\n0.844492 0.633104 0.801830 O\n0.361138 0.118000 0.439205 O\n0.000000 0.000000 0.748773 O\n0.139264 0.381597 0.688714 O\n0.381597 0.139264 0.311286 O\n0.118000 0.361138 0.560795 O\n0.134356 0.344691 0.447440 O\n0.290401 0.790374 0.374799 O\n0.709599 0.209626 0.374799 O\n0.846308 0.633560 0.303656 O\n0.344691 0.134356 0.552560 O\n0.638862 0.882000 0.439205 O\n0.859885 0.617478 0.191307 O\n0.500000 0.500000 0.500000 O\n0.618403 0.860736 0.311286 O\n0.633104 0.844492 0.198170 O\n0.789067 0.285678 0.127641 O\n0.210933 0.714322 0.127641 O\n0.140115 0.382522 0.191307 O\n0.000000 0.000000 0.251227 O\n0.153692 0.366440 0.303656 O\n","nsites":75,"nelements":3,"elements":["K","U","O"],"chemical_system":"K-O-U","density":5.103920424582176,"density_atomic":0.0538596129729158,"volume":1392.5090779563343,"volume_molar":11.181180902707814,"formula_full":"K18 U12 O45","formula_reduced":"K6U4O15","formula_anonymous":"A4B6C15","energy":-608.91100707,"energy_per_atom":-8.1188134276,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-577.99600707,"band_gap":1.3949000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0108633,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.462000Z","spacegroup":21},{"id":"mp-1335004","created_at":"2022-09-04T14:42:23.521894Z","structure_string":"Y16 Cu24 O60\n1.0\n12.704244 0.000000 0.000000\n0.000000 10.548821 0.000000\n0.000000 0.024871 10.744258\nY Cu O\n16 24 60\ndirect\n0.171634 0.454656 0.103568 Y\n0.162448 0.453151 0.767724 Y\n0.662448 0.546849 0.232276 Y\n0.671634 0.545344 0.896432 Y\n0.170154 0.955045 0.067769 Y\n0.165448 0.954075 0.729974 Y\n0.665448 0.045925 0.270026 Y\n0.670154 0.044955 0.932231 Y\n0.502793 0.300763 0.434203 Y\n0.503278 0.291249 0.771990 Y\n0.003278 0.708751 0.228010 Y\n0.002793 0.699237 0.565797 Y\n0.497127 0.791276 0.394296 Y\n0.510395 0.801604 0.731070 Y\n0.010395 0.198396 0.268930 Y\n0.997127 0.208724 0.605704 Y\n0.289193 0.237811 0.278303 Cu\n0.286466 0.233056 0.625466 Cu\n0.290487 0.243883 0.949729 Cu\n0.790487 0.756117 0.050271 Cu\n0.786466 0.766944 0.374534 Cu\n0.789193 0.762189 0.721697 Cu\n0.290775 0.736613 0.207219 Cu\n0.286632 0.736397 0.562363 Cu\n0.289063 0.740615 0.877581 Cu\n0.789063 0.259385 0.122419 Cu\n0.786632 0.263603 0.437637 Cu\n0.790775 0.263387 0.792781 Cu\n0.384863 0.013998 0.223520 Cu\n0.380650 0.006482 0.550309 Cu\n0.385677 0.016531 0.876845 Cu\n0.885677 0.983469 0.123155 Cu\n0.880650 0.993518 0.449691 Cu\n0.884863 0.986002 0.776480 Cu\n0.382030 0.513012 0.288280 Cu\n0.384263 0.510226 0.622702 Cu\n0.385855 0.514713 0.936374 Cu\n0.885855 0.485287 0.063626 Cu\n0.884263 0.489774 0.377298 Cu\n0.882030 0.486988 0.711720 Cu\n0.022036 0.038443 0.135582 O\n0.007919 0.076904 0.439145 O\n0.015004 0.051090 0.737630 O\n0.515004 0.948910 0.262370 O\n0.507919 0.923096 0.560855 O\n0.522036 0.961557 0.864418 O\n0.018079 0.548765 0.095831 O\n0.008012 0.578761 0.397079 O\n0.018758 0.539253 0.697534 O\n0.518758 0.460747 0.302466 O\n0.508012 0.421239 0.602921 O\n0.518079 0.451235 0.904169 O\n0.258313 0.092299 0.192773 O\n0.247144 0.075888 0.573836 O\n0.248490 0.079443 0.895305 O\n0.748490 0.920557 0.104695 O\n0.747144 0.924112 0.426164 O\n0.758313 0.907701 0.807227 O\n0.249486 0.576314 0.255864 O\n0.255145 0.587972 0.640506 O\n0.248286 0.579927 0.937724 O\n0.748286 0.420073 0.062276 O\n0.755145 0.412028 0.359494 O\n0.749486 0.423686 0.744136 O\n0.342240 0.381688 0.033349 O\n0.335190 0.371237 0.371345 O\n0.332158 0.374816 0.713072 O\n0.832158 0.625184 0.286928 O\n0.835190 0.628763 0.628655 O\n0.842240 0.618312 0.966651 O\n0.337308 0.881538 0.128979 O\n0.328311 0.869869 0.465515 O\n0.339347 0.876767 0.787178 O\n0.839347 0.123233 0.212822 O\n0.828311 0.130131 0.534485 O\n0.837308 0.118462 0.871021 O\n0.416095 0.159253 0.310352 O\n0.423286 0.170078 0.606193 O\n0.424019 0.173257 0.930938 O\n0.924019 0.826743 0.069062 O\n0.923286 0.829922 0.393807 O\n0.916095 0.840747 0.689648 O\n0.422983 0.672377 0.237998 O\n0.424666 0.670791 0.561523 O\n0.418449 0.662897 0.857384 O\n0.918449 0.337103 0.142616 O\n0.924666 0.329209 0.438477 O\n0.922983 0.327623 0.762002 O\n0.665108 0.171252 0.099534 O\n0.653664 0.201982 0.405614 O\n0.654963 0.209775 0.805421 O\n0.154963 0.790225 0.194579 O\n0.153664 0.798018 0.594386 O\n0.165108 0.828748 0.900466 O\n0.663541 0.673121 0.063875 O\n0.651540 0.710214 0.362610 O\n0.657635 0.699429 0.760363 O\n0.157635 0.300571 0.239637 O\n0.151540 0.289786 0.637390 O\n0.163541 0.326879 0.936125 O\n","nsites":100,"nelements":3,"elements":["Y","Cu","O"],"chemical_system":"Cu-O-Y","density":4.506358646618045,"density_atomic":0.06944977167949254,"volume":1439.8895429274462,"volume_molar":8.671217506361144,"formula_full":"Y16 Cu24 O60","formula_reduced":"Y4(Cu2O5)3","formula_anonymous":"A4B6C15","energy":-705.3869897100001,"energy_per_atom":-7.053869897100001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-664.16698971,"band_gap":0.8103,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001292,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.932000Z","spacegroup":4},{"id":"mp-772919","created_at":"2022-09-04T14:44:28.891046Z","structure_string":"Tm8 B12 O30\n1.0\n2.191056 5.812663 0.000000\n-2.191056 5.812663 0.000000\n0.000000 2.070096 18.663486\nTm B O\n8 12 30\ndirect\n0.655361 0.070252 0.302284 Tm\n0.668158 0.064606 0.099336 Tm\n0.070252 0.655361 0.802284 Tm\n0.064606 0.668158 0.599336 Tm\n0.935394 0.331842 0.400664 Tm\n0.929748 0.344639 0.197716 Tm\n0.331842 0.935394 0.900664 Tm\n0.344639 0.929748 0.697716 Tm\n0.197390 0.608682 0.412845 B\n0.204333 0.659244 0.194190 B\n0.641134 0.021105 0.474456 B\n0.608682 0.197390 0.912845 B\n0.659244 0.204333 0.694190 B\n0.021105 0.641134 0.974456 B\n0.978895 0.358866 0.025544 B\n0.340756 0.795667 0.305810 B\n0.391318 0.802610 0.087155 B\n0.358866 0.978895 0.525544 B\n0.795667 0.340756 0.805810 B\n0.802610 0.391318 0.587155 B\n0.159081 0.811765 0.121276 O\n0.544166 0.287542 0.429206 O\n0.534592 0.334527 0.196685 O\n0.995238 0.750651 0.480022 O\n0.811765 0.159081 0.621276 O\n0.287542 0.544166 0.929206 O\n0.074442 0.562304 0.361395 O\n0.334527 0.534592 0.696685 O\n0.750651 0.995238 0.980022 O\n0.949669 0.684737 0.203923 O\n0.089786 0.493687 0.049681 O\n0.506313 0.910214 0.450319 O\n0.562304 0.074442 0.861395 O\n0.684737 0.949669 0.703923 O\n0.315263 0.050331 0.296077 O\n0.437696 0.925558 0.138605 O\n0.493687 0.089786 0.549681 O\n0.910214 0.506313 0.950319 O\n0.050331 0.315263 0.796077 O\n0.249349 0.004762 0.019978 O\n0.665473 0.465408 0.303315 O\n0.925558 0.437696 0.638605 O\n0.712458 0.455834 0.070794 O\n0.188235 0.840919 0.378724 O\n0.131089 0.868911 0.250000 O\n0.004762 0.249349 0.519978 O\n0.465408 0.665473 0.803315 O\n0.455834 0.712458 0.570794 O\n0.840919 0.188235 0.878724 O\n0.868911 0.131089 0.750000 O\n","nsites":50,"nelements":3,"elements":["Tm","B","O"],"chemical_system":"B-O-Tm","density":6.850414821216842,"density_atomic":0.10517647737827575,"volume":475.39146819084783,"volume_molar":5.725748675096696,"formula_full":"Tm8 B12 O30","formula_reduced":"Tm4(B2O5)3","formula_anonymous":"A4B6C15","energy":-433.65991537,"energy_per_atom":-8.6731983074,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-413.04991537,"band_gap":5.492000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0203498,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.260000Z","spacegroup":15},{"id":"mp-685351","created_at":"2022-09-04T14:48:12.021922Z","structure_string":"Ti8 Fe12 O30\n1.0\n5.213739 0.000000 0.000000\n-2.601855 4.876346 0.000000\n-0.056347 -1.768907 21.342101\nTi Fe O\n8 12 30\ndirect\n0.769085 0.579919 0.969939 Ti\n0.103974 0.217564 0.730486 Ti\n0.083266 0.189133 0.872959 Ti\n0.985089 0.988765 0.574212 Ti\n0.601380 0.197769 0.370574 Ti\n0.299188 0.590088 0.474651 Ti\n0.205150 0.394368 0.172154 Ti\n0.922485 0.822452 0.127022 Ti\n0.494433 0.997911 0.926052 Fe\n0.398561 0.800770 0.771534 Fe\n0.798292 0.609263 0.826666 Fe\n0.694792 0.399547 0.527456 Fe\n0.703760 0.390969 0.670890 Fe\n0.401980 0.799436 0.629941 Fe\n0.309602 0.614985 0.330769 Fe\n0.001014 0.997584 0.427447 Fe\n0.894505 0.787219 0.271118 Fe\n0.603250 0.195146 0.229972 Fe\n0.493411 0.995187 0.069636 Fe\n0.202055 0.405191 0.029992 Fe\n0.038606 0.823673 0.910066 O\n0.663260 0.904091 0.848203 O\n0.560070 0.757535 0.989282 O\n0.054046 0.423285 0.813284 O\n0.977075 0.319863 0.943501 O\n0.708125 0.055486 0.710828 O\n0.506166 0.364333 0.885964 O\n0.236055 0.113334 0.649488 O\n0.119690 0.971064 0.786958 O\n0.702937 0.642211 0.610728 O\n0.551553 0.480755 0.748486 O\n0.231302 0.228344 0.513863 O\n0.125554 0.556307 0.691973 O\n0.837775 0.310675 0.443112 O\n0.750435 0.152818 0.590663 O\n0.289562 0.824953 0.413392 O\n0.168431 0.714685 0.542356 O\n0.869509 0.441717 0.315581 O\n0.697156 0.761621 0.491573 O\n0.433419 0.504217 0.248614 O\n0.358444 0.362626 0.387900 O\n0.884595 0.040126 0.211910 O\n0.745584 0.905539 0.345222 O\n0.488409 0.640215 0.119545 O\n0.308282 0.951772 0.295410 O\n0.013764 0.696273 0.049746 O\n0.957688 0.573275 0.185454 O\n0.489090 0.246357 0.006642 O\n0.331996 0.101820 0.151285 O\n0.936147 0.157766 0.095502 O\n","nsites":50,"nelements":3,"elements":["Ti","Fe","O"],"chemical_system":"Fe-O-Ti","density":4.6916619534999935,"density_atomic":0.09214866199477602,"volume":542.6014758937524,"volume_molar":6.535244928831848,"formula_full":"Ti8 Fe12 O30","formula_reduced":"Ti4(Fe2O5)3","formula_anonymous":"A4B6C15","energy":-436.87651744,"energy_per_atom":-8.7375303488,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.19451744,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.9999321,"is_theoretical":true,"updated_at":"2021-11-28T01:38:36.872000Z","spacegroup":1},{"id":"mp-771772","created_at":"2022-09-04T14:39:41.510441Z","structure_string":"Lu8 B12 O30\n1.0\n2.186632 5.781424 0.000000\n-2.186632 5.781424 0.000000\n0.000000 2.023537 18.566804\nLu B O\n8 12 30\ndirect\n0.657217 0.068166 0.301766 Lu\n0.669040 0.062879 0.099700 Lu\n0.068166 0.657217 0.801766 Lu\n0.062879 0.669040 0.599700 Lu\n0.937121 0.330960 0.400300 Lu\n0.931834 0.342783 0.198234 Lu\n0.330960 0.937121 0.900300 Lu\n0.342783 0.931834 0.698234 Lu\n0.197417 0.608983 0.412940 B\n0.203716 0.658573 0.194128 B\n0.641897 0.020800 0.474562 B\n0.608983 0.197417 0.912940 B\n0.658573 0.203716 0.694128 B\n0.020800 0.641897 0.974562 B\n0.979200 0.358103 0.025438 B\n0.341427 0.796284 0.305872 B\n0.391017 0.802583 0.087060 B\n0.358103 0.979200 0.525438 B\n0.796284 0.341427 0.805872 B\n0.802583 0.391017 0.587060 B\n0.157021 0.812610 0.121055 O\n0.545659 0.286977 0.428704 O\n0.534637 0.333185 0.196685 O\n0.996794 0.749509 0.480742 O\n0.812610 0.157021 0.621055 O\n0.286977 0.545659 0.928704 O\n0.071444 0.564548 0.361297 O\n0.333185 0.534637 0.696685 O\n0.749509 0.996794 0.980742 O\n0.947977 0.684148 0.204154 O\n0.091293 0.492792 0.049942 O\n0.507208 0.908707 0.450058 O\n0.564548 0.071444 0.861297 O\n0.684148 0.947977 0.704154 O\n0.315852 0.052023 0.295846 O\n0.435452 0.928556 0.138703 O\n0.492792 0.091293 0.549942 O\n0.908707 0.507208 0.950058 O\n0.052023 0.315852 0.795846 O\n0.250491 0.003206 0.019258 O\n0.666815 0.465363 0.303315 O\n0.928556 0.435452 0.638703 O\n0.713023 0.454341 0.071296 O\n0.187390 0.842979 0.378945 O\n0.129785 0.870215 0.250000 O\n0.003206 0.250491 0.519258 O\n0.465363 0.666815 0.803315 O\n0.454341 0.713023 0.571296 O\n0.842979 0.187390 0.878945 O\n0.870215 0.129785 0.750000 O\n","nsites":50,"nelements":3,"elements":["Lu","B","O"],"chemical_system":"B-Lu-O","density":7.10801986582839,"density_atomic":0.10651047841869055,"volume":469.4373806439119,"volume_molar":5.654035968486674,"formula_full":"Lu8 B12 O30","formula_reduced":"Lu4(B2O5)3","formula_anonymous":"A4B6C15","energy":-433.87675618,"energy_per_atom":-8.6775351236,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-413.26675618,"band_gap":5.5478000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0052927,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.776000Z","spacegroup":15},{"id":"mp-853024","created_at":"2022-09-04T14:41:48.582367Z","structure_string":"La8 Al12 O30\n1.0\n2.522345 6.483856 0.000000\n-2.522345 6.483856 0.000000\n0.000000 1.373799 21.148297\nLa Al O\n8 12 30\ndirect\n0.330536 0.939514 0.450140 La\n0.351916 0.936027 0.647142 La\n0.952888 0.323949 0.950917 La\n0.929775 0.355962 0.147846 La\n0.063973 0.648084 0.352858 La\n0.060486 0.669464 0.549860 La\n0.644038 0.070225 0.852154 La\n0.676051 0.047112 0.049083 La\n0.787447 0.377516 0.335502 Al\n0.809539 0.347008 0.554671 Al\n0.344317 0.978752 0.274500 Al\n0.381505 0.787648 0.835055 Al\n0.352989 0.805329 0.054988 Al\n0.981133 0.344232 0.775438 Al\n0.021248 0.655683 0.725500 Al\n0.652992 0.190461 0.445329 Al\n0.622484 0.212553 0.664498 Al\n0.655768 0.018867 0.224562 Al\n0.194671 0.647011 0.945012 Al\n0.212352 0.618495 0.164945 Al\n0.869091 0.189031 0.629711 O\n0.430746 0.720281 0.327981 O\n0.459660 0.690226 0.552151 O\n0.974145 0.261397 0.261829 O\n0.194612 0.866240 0.130134 O\n0.722638 0.430119 0.828505 O\n0.968740 0.387519 0.388294 O\n0.693635 0.451780 0.052431 O\n0.263828 0.974609 0.761478 O\n0.085241 0.312175 0.542000 O\n0.906336 0.505973 0.697431 O\n0.494027 0.093664 0.302569 O\n0.387451 0.975291 0.886707 O\n0.318411 0.080890 0.040517 O\n0.687825 0.914759 0.458000 O\n0.612481 0.031260 0.611706 O\n0.507892 0.904174 0.196778 O\n0.095826 0.492108 0.803222 O\n0.919110 0.681589 0.959483 O\n0.738603 0.025855 0.738171 O\n0.309774 0.540340 0.447849 O\n0.024709 0.612549 0.113293 O\n0.279719 0.569254 0.672019 O\n0.810969 0.130909 0.370289 O\n0.881043 0.118957 0.500000 O\n0.025391 0.736172 0.238522 O\n0.548220 0.306365 0.947569 O\n0.569881 0.277362 0.171495 O\n0.133760 0.805388 0.869866 O\n0.126321 0.873679 0.000000 O\n","nsites":50,"nelements":3,"elements":["La","Al","O"],"chemical_system":"Al-La-O","density":4.597011476299117,"density_atomic":0.07228143379473992,"volume":691.7405670450136,"volume_molar":8.331518128294578,"formula_full":"La8 Al12 O30","formula_reduced":"La4Al6O15","formula_anonymous":"A4B6C15","energy":-412.3461208700001,"energy_per_atom":-8.246922417400002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-391.73612087,"band_gap":4.2388,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.96e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.067000Z","spacegroup":5},{"id":"mp-759740","created_at":"2022-09-04T14:45:53.105973Z","structure_string":"Ti8 Fe12 O30\n1.0\n7.647295 0.000000 0.000000\n3.554187 8.176367 0.000000\n2.909622 0.353540 8.680068\nTi Fe O\n8 12 30\ndirect\n0.759623 0.943510 0.325809 Ti\n0.643098 0.855402 0.074980 Ti\n0.240377 0.056490 0.674191 Ti\n0.356902 0.144598 0.925020 Ti\n0.963097 0.339200 0.521897 Ti\n0.431781 0.460700 0.872762 Ti\n0.568219 0.539300 0.127238 Ti\n0.036903 0.660800 0.478103 Ti\n0.742938 0.055046 0.677298 Fe\n0.139030 0.857141 0.074228 Fe\n0.257062 0.944954 0.322702 Fe\n0.833858 0.260973 0.276385 Fe\n0.938255 0.459254 0.872815 Fe\n0.337398 0.255933 0.276033 Fe\n0.463279 0.340123 0.523202 Fe\n0.860970 0.142859 0.925772 Fe\n0.166142 0.739027 0.723615 Fe\n0.061745 0.540746 0.127185 Fe\n0.536721 0.659877 0.476798 Fe\n0.662602 0.744067 0.723967 Fe\n0.923612 0.814990 0.655448 O\n0.106648 0.918979 0.861511 O\n0.289836 0.887889 0.552080 O\n0.063636 0.826773 0.317988 O\n0.471408 0.990158 0.738511 O\n0.528592 0.009842 0.261489 O\n0.122229 0.209483 0.867627 O\n0.330376 0.967520 0.066223 O\n0.936364 0.173227 0.682012 O\n0.710164 0.112111 0.447920 O\n0.490492 0.281824 0.753160 O\n0.893352 0.081021 0.138489 O\n0.669624 0.032480 0.933777 O\n0.265966 0.226164 0.530003 O\n0.076388 0.185010 0.344552 O\n0.724914 0.414006 0.467321 O\n0.530752 0.375157 0.270362 O\n0.143057 0.561451 0.878440 O\n0.312634 0.308212 0.051610 O\n0.916429 0.510342 0.648753 O\n0.083571 0.489658 0.351247 O\n0.469248 0.624843 0.729638 O\n0.856943 0.438549 0.121560 O\n0.672740 0.377528 0.940876 O\n0.275086 0.585994 0.532679 O\n0.327260 0.622472 0.059124 O\n0.734034 0.773836 0.469997 O\n0.509508 0.718176 0.246840 O\n0.687366 0.691788 0.948390 O\n0.877771 0.790517 0.132373 O\n","nsites":50,"nelements":3,"elements":["Ti","Fe","O"],"chemical_system":"Fe-O-Ti","density":4.6904697052917355,"density_atomic":0.09212524511644045,"volume":542.7393971848127,"volume_molar":6.536906091688979,"formula_full":"Ti8 Fe12 O30","formula_reduced":"Ti4(Fe2O5)3","formula_anonymous":"A4B6C15","energy":-438.09116444,"energy_per_atom":-8.7618232888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-390.40916444,"band_gap":1.1166000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.9999473,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.029000Z","spacegroup":2},{"id":"mp-768923","created_at":"2022-09-04T14:40:23.997912Z","structure_string":"Bi8 B12 O30\n1.0\n2.275788 6.007705 0.000000\n-2.275788 6.007705 0.000000\n0.000000 2.631788 19.376130\nBi B O\n8 12 30\ndirect\n0.654138 0.057537 0.300013 Bi\n0.682004 0.056995 0.094867 Bi\n0.057537 0.654138 0.800013 Bi\n0.056995 0.682004 0.594867 Bi\n0.943005 0.317996 0.405133 Bi\n0.942463 0.345862 0.199987 Bi\n0.317996 0.943005 0.905133 Bi\n0.345862 0.942463 0.699987 Bi\n0.193081 0.606527 0.411970 B\n0.209012 0.662175 0.195216 B\n0.625404 0.034253 0.472171 B\n0.606527 0.193081 0.911970 B\n0.662175 0.209012 0.695216 B\n0.034253 0.625404 0.972171 B\n0.965747 0.374596 0.027829 B\n0.337825 0.790988 0.304784 B\n0.393473 0.806919 0.088030 B\n0.374596 0.965747 0.527829 B\n0.790988 0.337825 0.804784 B\n0.806919 0.393473 0.588030 B\n0.176124 0.802883 0.125298 O\n0.514138 0.309856 0.434587 O\n0.516430 0.338641 0.198781 O\n0.968956 0.772371 0.471810 O\n0.802883 0.176124 0.625298 O\n0.309856 0.514138 0.934587 O\n0.095377 0.539784 0.362005 O\n0.338641 0.516430 0.698781 O\n0.772371 0.968956 0.971810 O\n0.942384 0.708739 0.206076 O\n0.066959 0.512997 0.048132 O\n0.487003 0.933041 0.451868 O\n0.539784 0.095377 0.862005 O\n0.708739 0.942384 0.706076 O\n0.291261 0.057616 0.293924 O\n0.460216 0.904623 0.137995 O\n0.512997 0.066959 0.548132 O\n0.933041 0.487003 0.951868 O\n0.057616 0.291261 0.793924 O\n0.227629 0.031044 0.028190 O\n0.661359 0.483570 0.301219 O\n0.904623 0.460216 0.637995 O\n0.690144 0.485862 0.065413 O\n0.197117 0.823876 0.374702 O\n0.145346 0.854654 0.250000 O\n0.031044 0.227629 0.528190 O\n0.483570 0.661359 0.801219 O\n0.485862 0.690144 0.565413 O\n0.823876 0.197117 0.874702 O\n0.854654 0.145346 0.750000 O\n","nsites":50,"nelements":3,"elements":["Bi","B","O"],"chemical_system":"B-Bi-O","density":7.150608836602503,"density_atomic":0.09436969835470574,"volume":529.8310884926841,"volume_molar":6.3814347878539195,"formula_full":"Bi8 B12 O30","formula_reduced":"Bi4(B2O5)3","formula_anonymous":"A4B6C15","energy":-379.78953649,"energy_per_atom":-7.5957907298,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-359.17953649,"band_gap":3.2042,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001271,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.962000Z","spacegroup":15},{"id":"mp-676814","created_at":"2022-09-04T14:41:32.570628Z","structure_string":"Cr4 Ga6 Se15\n1.0\n5.651928 3.365644 0.000000\n-5.651928 3.365644 0.000000\n0.000000 2.222110 15.762159\nCr Ga Se\n4 6 15\ndirect\n0.435476 0.435476 0.689864 Cr\n0.092511 0.778904 0.688443 Cr\n0.778904 0.092511 0.688443 Cr\n0.305879 0.305879 0.087571 Cr\n0.849022 0.529123 0.450584 Ga\n0.529123 0.849022 0.450584 Ga\n0.360510 0.023515 0.928453 Ga\n0.587421 0.248005 0.247029 Ga\n0.023515 0.360510 0.928453 Ga\n0.248005 0.587421 0.247029 Ga\n0.135277 0.135277 0.605522 Se\n0.658991 0.354113 0.980467 Se\n0.797745 0.460712 0.607256 Se\n0.354113 0.658991 0.980467 Se\n0.738993 0.738993 0.771758 Se\n0.460712 0.797745 0.607256 Se\n0.885460 0.885460 0.394317 Se\n0.257118 0.951013 0.194162 Se\n0.014495 0.014495 0.995575 Se\n0.408140 0.069481 0.770736 Se\n0.506188 0.202092 0.404647 Se\n0.951013 0.257118 0.194162 Se\n0.069481 0.408140 0.770736 Se\n0.202092 0.506188 0.404647 Se\n0.593839 0.593839 0.180520 Se\n","nsites":25,"nelements":3,"elements":["Cr","Ga","Se"],"chemical_system":"Cr-Ga-Se","density":5.014070943336518,"density_atomic":0.04168977118170266,"volume":599.6674793689517,"volume_molar":14.445127879816894,"formula_full":"Cr4 Ga6 Se15","formula_reduced":"Cr4(Ga2Se5)3","formula_anonymous":"A4B6C15","energy":-128.95096673,"energy_per_atom":-5.1580386692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.87096673,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9997203,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.088000Z","spacegroup":8}]}