{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10194","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10192","results":[{"id":"mp-19397","created_at":"2022-09-04T14:48:22.190827Z","structure_string":"Ba4 Na2 Ni6 O12\n1.0\n0.000000 5.703082 7.376585\n4.117203 0.000000 7.376585\n4.117203 5.703082 0.000000\nBa Na Ni O\n4 2 6 12\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.765061 0.234939 0.765061 Ba\n0.234939 0.765061 0.234939 Ba\n0.335955 0.335955 0.664045 Na\n0.664045 0.664045 0.335955 Na\n0.287810 0.002217 0.712190 Ni\n0.997783 0.712190 0.002217 Ni\n0.002217 0.287810 0.997783 Ni\n0.712190 0.997783 0.287810 Ni\n0.700582 0.299418 0.299418 Ni\n0.299418 0.700582 0.700582 Ni\n0.701308 0.487471 0.077986 O\n0.733235 0.077986 0.487471 O\n0.077986 0.733235 0.701308 O\n0.487471 0.701308 0.733235 O\n0.298692 0.512529 0.922014 O\n0.266765 0.922014 0.512529 O\n0.304887 0.081507 0.918493 O\n0.512529 0.298692 0.266765 O\n0.081507 0.304887 0.695113 O\n0.918493 0.695113 0.304887 O\n0.695113 0.918493 0.081507 O\n0.922014 0.266765 0.298692 O\n","nsites":24,"nelements":4,"elements":["Ba","Na","Ni","O"],"chemical_system":"Ba-Na-Ni-O","density":5.461898143293375,"density_atomic":0.06928097618548726,"volume":346.41544218061176,"volume_molar":8.69234397603869,"formula_full":"Ba4 Na2 Ni6 O12","formula_reduced":"Ba2Na(NiO2)3","formula_anonymous":"AB2C3D6","energy":-145.0530124,"energy_per_atom":-6.043875516666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-121.5630124,"band_gap":0.3005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9998429,"is_theoretical":false,"updated_at":"2021-11-28T01:39:24.615000Z","spacegroup":69},{"id":"mp-541946","created_at":"2022-09-04T14:48:16.953075Z","structure_string":"K8 Th4 P12 Se36\n1.0\n10.344180 0.000000 0.000000\n-0.244182 -10.697896 0.000000\n-5.041766 0.088157 -16.109330\nK Th P Se\n8 4 12 36\ndirect\n0.794859 0.830751 0.148850 K\n0.205141 0.169249 0.851150 K\n0.949660 0.737125 0.453551 K\n0.050340 0.262875 0.546449 K\n0.528042 0.257576 0.533511 K\n0.471958 0.742424 0.466489 K\n0.739840 0.307600 0.861327 K\n0.260160 0.692400 0.138673 K\n0.726366 0.281330 0.169279 Th\n0.273634 0.718670 0.830721 Th\n0.305590 0.223308 0.221046 Th\n0.694410 0.776692 0.778954 Th\n0.035686 0.501213 0.281997 P\n0.964314 0.498787 0.718003 P\n0.720439 0.087200 0.349662 P\n0.279561 0.912800 0.650338 P\n0.224527 0.430579 0.376109 P\n0.775473 0.569421 0.623891 P\n0.571239 0.575025 0.990851 P\n0.428761 0.424975 0.009149 P\n0.010755 0.071738 0.053501 P\n0.989245 0.928262 0.946499 P\n0.550548 0.961191 0.274569 P\n0.449452 0.038809 0.725431 P\n0.774120 0.512886 0.065831 Se\n0.225880 0.487114 0.934169 Se\n0.497787 0.062995 0.150055 Se\n0.502213 0.937005 0.849945 Se\n0.466887 0.433074 0.147861 Se\n0.533113 0.566926 0.852139 Se\n0.030677 0.378400 0.171426 Se\n0.969323 0.621600 0.828574 Se\n0.795492 0.119658 0.036602 Se\n0.204508 0.880342 0.963398 Se\n0.875017 0.080987 0.282843 Se\n0.124983 0.919013 0.717157 Se\n0.212756 0.223731 0.374859 Se\n0.787244 0.776269 0.625141 Se\n0.609343 0.271516 0.325849 Se\n0.390657 0.728484 0.674151 Se\n0.512505 0.245851 0.986674 Se\n0.487495 0.754149 0.013326 Se\n0.852723 0.445508 0.317443 Se\n0.147277 0.554492 0.682557 Se\n0.123840 0.990017 0.174397 Se\n0.876160 0.009983 0.825603 Se\n0.136316 0.230822 0.032771 Se\n0.863684 0.769178 0.967229 Se\n0.388423 0.996654 0.332433 Se\n0.611577 0.003346 0.667567 Se\n0.072857 0.700579 0.274324 Se\n0.927143 0.299421 0.725676 Se\n0.785145 0.034531 0.478025 Se\n0.214855 0.965469 0.521975 Se\n0.608476 0.768743 0.278549 Se\n0.391524 0.231257 0.721451 Se\n0.252534 0.513454 0.496481 Se\n0.747466 0.486546 0.503519 Se\n0.373795 0.480622 0.308480 Se\n0.626205 0.519378 0.691520 Se\n","nsites":60,"nelements":4,"elements":["K","Th","P","Se"],"chemical_system":"K-P-Se-Th","density":4.149949412740557,"density_atomic":0.033657304475912767,"volume":1782.6739524830246,"volume_molar":17.892522451730542,"formula_full":"K8 Th4 P12 Se36","formula_reduced":"K2Th(PSe3)3","formula_anonymous":"AB2C3D9","energy":-291.1981311,"energy_per_atom":-4.853302185,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-274.2061311,"band_gap":1.458,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005112,"is_theoretical":false,"updated_at":"2021-11-28T01:38:52.966000Z","spacegroup":2},{"id":"mp-757865","created_at":"2022-09-04T14:48:08.801911Z","structure_string":"Li8 Co4 Si16 O40\n1.0\n7.731120 0.000000 0.000000\n0.000000 11.064589 0.000000\n0.000000 3.975254 10.452202\nLi Co Si O\n8 4 16 40\ndirect\n0.750000 0.908543 0.395360 Li\n0.750000 0.975584 0.108100 Li\n0.750000 0.640456 0.867020 Li\n0.750000 0.621477 0.446503 Li\n0.250000 0.378523 0.553497 Li\n0.250000 0.359544 0.132980 Li\n0.250000 0.024416 0.891900 Li\n0.250000 0.091457 0.604640 Li\n0.976795 0.789775 0.277137 Co\n0.523205 0.789775 0.277137 Co\n0.476795 0.210225 0.722863 Co\n0.023205 0.210225 0.722863 Co\n0.951956 0.909442 0.742936 Si\n0.548044 0.909442 0.742936 Si\n0.045747 0.739180 0.586610 Si\n0.454253 0.739180 0.586610 Si\n0.449430 0.758190 0.012344 Si\n0.050570 0.758190 0.012344 Si\n0.445518 0.470845 0.775183 Si\n0.054482 0.470845 0.775183 Si\n0.945518 0.529155 0.224817 Si\n0.554482 0.529155 0.224817 Si\n0.949430 0.241810 0.987656 Si\n0.550570 0.241810 0.987656 Si\n0.954253 0.260820 0.413390 Si\n0.545747 0.260820 0.413390 Si\n0.451956 0.090558 0.257064 Si\n0.048044 0.090558 0.257064 Si\n0.750000 0.951742 0.706239 O\n0.945241 0.777635 0.876514 O\n0.554759 0.777635 0.876514 O\n0.250000 0.810426 0.969803 O\n0.465830 0.867046 0.628430 O\n0.034170 0.867046 0.628430 O\n0.932327 0.976410 0.243388 O\n0.567673 0.976410 0.243388 O\n0.250000 0.711047 0.564228 O\n0.930031 0.758925 0.462154 O\n0.569969 0.758925 0.462154 O\n0.960563 0.835966 0.091908 O\n0.539437 0.835966 0.091908 O\n0.530859 0.617307 0.712069 O\n0.969141 0.617307 0.712069 O\n0.250000 0.485555 0.826949 O\n0.941057 0.399477 0.907217 O\n0.558943 0.399477 0.907217 O\n0.949291 0.603122 0.325209 O\n0.550709 0.603122 0.325209 O\n0.449291 0.396878 0.674791 O\n0.050709 0.396878 0.674791 O\n0.441057 0.600523 0.092783 O\n0.058943 0.600523 0.092783 O\n0.750000 0.514445 0.173051 O\n0.469141 0.382693 0.287931 O\n0.030859 0.382693 0.287931 O\n0.039437 0.164034 0.908092 O\n0.460563 0.164034 0.908092 O\n0.430031 0.241075 0.537846 O\n0.069969 0.241075 0.537846 O\n0.750000 0.288953 0.435772 O\n0.432327 0.023590 0.756612 O\n0.067673 0.023590 0.756612 O\n0.965830 0.132954 0.371570 O\n0.534170 0.132954 0.371570 O\n0.750000 0.189574 0.030197 O\n0.445241 0.222365 0.123486 O\n0.054759 0.222365 0.123486 O\n0.250000 0.048258 0.293761 O\n","nsites":68,"nelements":4,"elements":["Li","Co","Si","O"],"chemical_system":"Co-Li-O-Si","density":2.56408828853134,"density_atomic":0.07605423767951026,"volume":894.0987652331679,"volume_molar":7.918218555259312,"formula_full":"Li8 Co4 Si16 O40","formula_reduced":"Li2Co(Si2O5)2","formula_anonymous":"AB2C4D10","energy":-518.3726203800001,"energy_per_atom":-7.623126770294118,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-484.34062038,"band_gap":2.1769,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.737000Z","spacegroup":11},{"id":"mp-1046286","created_at":"2022-09-04T14:48:13.501234Z","structure_string":"Ca4 Ta4 W2 O16\n1.0\n3.185721 9.609050 0.000000\n-3.185721 9.609050 0.000000\n0.000000 0.274065 5.521838\nCa Ta W O\n4 4 2 16\ndirect\n0.878114 0.546012 0.516838 Ca\n0.453988 0.121886 0.483162 Ca\n0.120300 0.474819 0.988056 Ca\n0.525181 0.879700 0.011944 Ca\n0.016859 0.758983 0.507756 Ta\n0.241017 0.983141 0.492244 Ta\n0.975535 0.256130 0.013794 Ta\n0.743870 0.024465 0.986206 Ta\n0.635213 0.364787 0.500000 W\n0.368248 0.631752 0.000000 W\n0.077090 0.772235 0.854805 O\n0.227765 0.922910 0.145195 O\n0.943755 0.187358 0.673801 O\n0.812642 0.056245 0.326199 O\n0.306773 0.582685 0.353451 O\n0.417315 0.693227 0.646549 O\n0.690411 0.425440 0.153362 O\n0.574560 0.309589 0.846638 O\n0.881108 0.766522 0.233795 O\n0.233478 0.118892 0.766205 O\n0.469799 0.153058 0.080185 O\n0.846942 0.530201 0.919815 O\n0.523968 0.845855 0.416294 O\n0.154145 0.476032 0.583706 O\n0.755748 0.877651 0.728040 O\n0.122349 0.244252 0.271960 O\n","nsites":26,"nelements":4,"elements":["Ca","Ta","W","O"],"chemical_system":"Ca-O-Ta-W","density":7.405996050909242,"density_atomic":0.07690799680709437,"volume":338.06627502228264,"volume_molar":7.830318055357916,"formula_full":"Ca4 Ta4 W2 O16","formula_reduced":"Ca2Ta2WO8","formula_anonymous":"AB2C2D8","energy":-236.40568974,"energy_per_atom":-9.092526528461539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-216.53768974,"band_gap":0.1747000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.003465,"is_theoretical":true,"updated_at":"2021-11-28T01:38:37.029000Z","spacegroup":5},{"id":"mp-1218523","created_at":"2022-09-04T14:48:13.492263Z","structure_string":"Sr8 Ca2 Fe10 O30\n1.0\n-7.808916 -0.001025 -0.000931\n-3.905028 -7.800673 3.903048\n0.001457 3.895139 7.797157\nSr Ca Fe O\n8 2 10 30\ndirect\n0.400216 0.199735 0.399342 Sr\n0.900051 0.199742 0.399361 Sr\n0.300474 0.399137 0.800429 Sr\n0.800341 0.399222 0.800420 Sr\n0.199856 0.600343 0.199669 Sr\n0.699769 0.600420 0.199636 Sr\n0.099822 0.800446 0.600668 Sr\n0.599740 0.800468 0.600718 Sr\n0.499920 0.000237 0.999831 Ca\n0.999859 0.000238 0.999851 Ca\n0.999963 0.499979 0.500018 Fe\n0.499969 0.500061 0.500088 Fe\n0.899224 0.701659 0.900578 Fe\n0.399055 0.701594 0.900749 Fe\n0.799765 0.900509 0.298334 Fe\n0.299764 0.900645 0.298414 Fe\n0.200320 0.099362 0.701545 Fe\n0.700230 0.099376 0.701642 Fe\n0.100737 0.298435 0.099406 Fe\n0.600854 0.298418 0.099367 Fe\n0.249922 0.500054 0.500017 O\n0.750005 0.500069 0.500075 O\n0.249991 0.000041 0.499962 O\n0.750028 0.999941 0.499986 O\n0.000015 0.499990 0.999991 O\n0.500004 0.499978 0.999994 O\n0.147699 0.704652 0.901819 O\n0.647660 0.704666 0.901758 O\n0.049155 0.901732 0.295242 O\n0.549166 0.901722 0.295225 O\n0.450871 0.098221 0.704669 O\n0.950887 0.098207 0.704650 O\n0.352352 0.295323 0.098298 O\n0.852314 0.295334 0.098234 O\n0.050834 0.398286 0.299288 O\n0.550864 0.398364 0.299303 O\n0.949165 0.601725 0.700762 O\n0.449091 0.601715 0.700756 O\n0.899696 0.700611 0.398277 O\n0.399635 0.700708 0.398303 O\n0.100308 0.299378 0.601720 O\n0.600344 0.299345 0.601696 O\n0.848215 0.803581 0.097776 O\n0.348188 0.803619 0.097834 O\n0.151818 0.196373 0.902153 O\n0.651823 0.196356 0.902170 O\n0.799008 0.902083 0.803683 O\n0.298946 0.902086 0.803644 O\n0.201016 0.097898 0.196305 O\n0.701052 0.097918 0.196342 O\n","nsites":50,"nelements":4,"elements":["Sr","Ca","Fe","O"],"chemical_system":"Ca-Fe-O-Sr","density":5.089466756757173,"density_atomic":0.08422279932467894,"volume":593.6634783088837,"volume_molar":7.150250060894609,"formula_full":"Sr8 Ca2 Fe10 O30","formula_reduced":"Sr4Ca(FeO3)5","formula_anonymous":"AB4C5D15","energy":-361.30002795,"energy_per_atom":-7.226000559,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-318.13002795,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":42.5919438,"is_theoretical":true,"updated_at":"2021-11-28T01:38:35.050000Z","spacegroup":83},{"id":"mp-1221946","created_at":"2022-09-04T14:48:17.086181Z","structure_string":"Mn2 V3 Ni1 O8\n1.0\n5.297404 -3.049913 0.000000\n5.297404 3.049913 0.000000\n3.541455 0.000000 4.982224\nMn V Ni O\n2 3 1 8\ndirect\n0.123539 0.123539 0.123539 Mn\n0.876461 0.876461 0.876461 Mn\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Ni\n0.737298 0.737298 0.737298 O\n0.743304 0.288448 0.743304 O\n0.288448 0.743304 0.743304 O\n0.743304 0.743304 0.288448 O\n0.262702 0.262702 0.262702 O\n0.256696 0.711552 0.256696 O\n0.711552 0.256696 0.256696 O\n0.256696 0.256696 0.711552 O\n","nsites":14,"nelements":4,"elements":["Mn","V","Ni","O"],"chemical_system":"Mn-Ni-O-V","density":4.63519412529294,"density_atomic":0.08696094375327497,"volume":160.99181305714333,"volume_molar":6.92510971026945,"formula_full":"Mn2 V3 Ni1 O8","formula_reduced":"Mn2V3NiO8","formula_anonymous":"AB2C3D8","energy":-121.63715462000002,"energy_per_atom":-8.688368187142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.16415462,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.9996812,"is_theoretical":true,"updated_at":"2021-11-28T01:38:48.063000Z","spacegroup":166},{"id":"mp-17672","created_at":"2022-09-04T14:48:16.938078Z","structure_string":"Ba2 Li2 B18 O30\n1.0\n8.523791 -0.021300 1.427502\n1.204829 8.438238 1.427502\n-0.024620 -0.021300 8.642463\nBa Li B O\n2 2 18 30\ndirect\n0.497962 0.497962 0.497962 Ba\n0.997962 0.997962 0.997962 Ba\n0.246394 0.246394 0.246394 Li\n0.746394 0.746394 0.746394 Li\n0.743182 0.606227 0.080829 B\n0.250124 0.680286 0.819216 B\n0.750124 0.319216 0.180286 B\n0.319216 0.180286 0.750124 B\n0.106227 0.243182 0.580829 B\n0.243182 0.580829 0.106227 B\n0.580829 0.106227 0.243182 B\n0.819216 0.250124 0.680286 B\n0.080829 0.743182 0.606227 B\n0.606227 0.080829 0.743182 B\n0.918734 0.256519 0.393598 B\n0.256519 0.393598 0.918734 B\n0.393598 0.918734 0.256519 B\n0.893598 0.756519 0.418734 B\n0.756519 0.418734 0.893598 B\n0.418734 0.893598 0.756519 B\n0.680286 0.819216 0.250124 B\n0.180286 0.750124 0.319216 B\n0.756765 0.755632 0.102201 O\n0.755632 0.102201 0.756765 O\n0.487376 0.203304 0.721608 O\n0.721608 0.487376 0.203304 O\n0.102201 0.756765 0.755632 O\n0.703304 0.987376 0.221608 O\n0.221608 0.703304 0.987376 O\n0.987376 0.221608 0.703304 O\n0.242960 0.244018 0.897919 O\n0.897919 0.242960 0.244018 O\n0.244018 0.897919 0.242960 O\n0.744018 0.742960 0.397919 O\n0.397919 0.744018 0.742960 O\n0.742960 0.397919 0.744018 O\n0.602201 0.255632 0.256765 O\n0.255632 0.256765 0.602201 O\n0.796130 0.278458 0.512213 O\n0.278458 0.512213 0.796130 O\n0.512213 0.796130 0.278458 O\n0.012213 0.778458 0.296130 O\n0.778458 0.296130 0.012213 O\n0.296130 0.012213 0.778458 O\n0.075960 0.249617 0.423767 O\n0.249617 0.423767 0.075960 O\n0.423767 0.075960 0.249617 O\n0.923767 0.749617 0.575960 O\n0.749617 0.575960 0.923767 O\n0.575960 0.923767 0.749617 O\n0.203304 0.721608 0.487376 O\n0.256765 0.602201 0.255632 O\n","nsites":52,"nelements":4,"elements":["Ba","Li","B","O"],"chemical_system":"B-Ba-Li-O","density":2.569731582313641,"density_atomic":0.08355326212956969,"volume":622.3575079493764,"volume_molar":7.207547145988391,"formula_full":"Ba2 Li2 B18 O30","formula_reduced":"BaLi(B3O5)3","formula_anonymous":"ABC9D15","energy":-429.4373388000001,"energy_per_atom":-8.258410361538463,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-408.8273388,"band_gap":5.7835,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025823,"is_theoretical":false,"updated_at":"2021-11-28T01:38:50.072000Z","spacegroup":161},{"id":"mp-26263","created_at":"2022-09-04T14:48:16.940315Z","structure_string":"Li6 Ni6 P8 O32\n1.0\n7.962217 0.000000 0.000000\n0.000000 7.566570 0.000000\n0.000000 0.411862 9.904981\nLi Ni P O\n6 6 8 32\ndirect\n0.369828 0.668986 0.180549 Li\n0.869828 0.331014 0.819451 Li\n0.140498 0.164830 0.426629 Li\n0.141323 0.167133 0.925561 Li\n0.640498 0.835170 0.573371 Li\n0.641323 0.832867 0.074439 Li\n0.354624 0.655627 0.690351 Ni\n0.854624 0.344373 0.309649 Ni\n0.511684 0.221384 0.875120 Ni\n0.495332 0.242679 0.377602 Ni\n0.995332 0.757321 0.622398 Ni\n0.011684 0.778616 0.124880 Ni\n0.806256 0.946345 0.359377 P\n0.823467 0.938025 0.858858 P\n0.323467 0.061975 0.141142 P\n0.306256 0.053655 0.640623 P\n0.680764 0.432447 0.100301 P\n0.680852 0.430353 0.614929 P\n0.180852 0.569647 0.385071 P\n0.180764 0.567553 0.899699 P\n0.879052 0.788441 0.965997 O\n0.860864 0.796348 0.462977 O\n0.818146 0.869681 0.215373 O\n0.440267 0.907099 0.148517 O\n0.812064 0.844481 0.720041 O\n0.421201 0.889508 0.631318 O\n0.150869 0.713619 0.777638 O\n0.135105 0.726542 0.286216 O\n0.179750 0.645524 0.532041 O\n0.555587 0.587297 0.611568 O\n0.195417 0.665098 0.031988 O\n0.563116 0.585043 0.096179 O\n0.858747 0.492979 0.647256 O\n0.362580 0.511595 0.845820 O\n0.862580 0.488405 0.154180 O\n0.358747 0.507021 0.352744 O\n0.055587 0.412703 0.388432 O\n0.679750 0.354476 0.467959 O\n0.063116 0.414957 0.903821 O\n0.635105 0.273458 0.713784 O\n0.695417 0.334902 0.968012 O\n0.650869 0.286381 0.222362 O\n0.360864 0.203652 0.537023 O\n0.318146 0.130319 0.784627 O\n0.379052 0.211559 0.034003 O\n0.940267 0.092901 0.851483 O\n0.312064 0.155519 0.279959 O\n0.921201 0.110492 0.368682 O\n0.623851 0.994096 0.394834 O\n0.123851 0.005904 0.605166 O\n0.638754 0.981320 0.897563 O\n0.138754 0.018680 0.102437 O\n","nsites":52,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":3.210029967949101,"density_atomic":0.08713981490403644,"volume":596.7421443029859,"volume_molar":6.910894596955411,"formula_full":"Li6 Ni6 P8 O32","formula_reduced":"Li3Ni3(PO4)4","formula_anonymous":"A3B3C4D16","energy":-361.2308926,"energy_per_atom":-6.946747934615384,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.0008926,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.999869,"is_theoretical":true,"updated_at":"2021-11-28T01:40:09.451000Z","spacegroup":4},{"id":"mp-753578","created_at":"2022-09-04T14:48:08.462180Z","structure_string":"Sr2 La6 Mn2 O16\n1.0\n2.672629 -6.398601 0.000000\n2.672629 6.398601 0.000000\n0.000000 0.000000 10.886732\nSr La Mn O\n2 6 2 16\ndirect\n0.361887 0.638113 0.750000 Sr\n0.638113 0.361887 0.250000 Sr\n0.133942 0.866058 0.001838 La\n0.634606 0.365394 0.750000 La\n0.866058 0.133942 0.998162 La\n0.365394 0.634606 0.250000 La\n0.133942 0.866058 0.498162 La\n0.866058 0.133942 0.501838 La\n0.999354 0.000646 0.750000 Mn\n0.000646 0.999354 0.250000 Mn\n0.757005 0.752624 0.872304 O\n0.158810 0.841190 0.750000 O\n0.309639 0.690361 0.018620 O\n0.841255 0.158745 0.750000 O\n0.247376 0.242995 0.872304 O\n0.752624 0.757005 0.127696 O\n0.242995 0.247376 0.127696 O\n0.690361 0.309639 0.981380 O\n0.158745 0.841255 0.250000 O\n0.752624 0.757005 0.372304 O\n0.309639 0.690361 0.481380 O\n0.841190 0.158810 0.250000 O\n0.242995 0.247376 0.372304 O\n0.757005 0.752624 0.627696 O\n0.690361 0.309639 0.518620 O\n0.247376 0.242995 0.627696 O\n","nsites":26,"nelements":4,"elements":["Sr","La","Mn","O"],"chemical_system":"La-Mn-O-Sr","density":6.12992312894919,"density_atomic":0.0698267958975279,"volume":372.3498932724262,"volume_molar":8.624397958682799,"formula_full":"Sr2 La6 Mn2 O16","formula_reduced":"SrLa3MnO8","formula_anonymous":"ABC3D8","energy":-211.29030651,"energy_per_atom":-8.126550250384614,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.96230651,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.6533376,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.735000Z","spacegroup":63},{"id":"mp-765630","created_at":"2022-09-04T14:48:17.896205Z","structure_string":"Li12 V4 O10 F4\n1.0\n5.878253 0.000000 0.000000\n-2.880944 5.125137 0.000000\n-1.565592 -0.945212 9.700339\nLi V O F\n12 4 10 4\ndirect\n0.138268 0.482366 0.610579 Li\n0.121608 0.902823 0.592818 Li\n0.137720 0.665778 0.103820 Li\n0.139240 0.216906 0.099593 Li\n0.391809 0.329723 0.879428 Li\n0.421270 0.080364 0.392985 Li\n0.584545 0.921337 0.611292 Li\n0.579385 0.656347 0.107277 Li\n0.882963 0.817837 0.903284 Li\n0.867181 0.312334 0.890009 Li\n0.856494 0.074123 0.410030 Li\n0.861107 0.524728 0.390674 Li\n0.394988 0.824839 0.874801 V\n0.362676 0.551319 0.368807 V\n0.626018 0.437588 0.634654 V\n0.632394 0.190852 0.131439 V\n0.244070 0.508244 0.974747 O\n0.244561 0.742291 0.473039 O\n0.498733 0.137573 0.755401 O\n0.504381 0.634143 0.746979 O\n0.273212 0.003897 0.004761 O\n0.748195 0.004305 0.006704 O\n0.499357 0.365290 0.249711 O\n0.719915 0.720356 0.497911 O\n0.758641 0.260170 0.528226 O\n0.995735 0.353841 0.248845 O\n0.239708 0.238554 0.501564 F\n0.506440 0.865886 0.247775 F\n0.006468 0.663151 0.749125 F\n0.762921 0.513038 0.013722 F\n","nsites":30,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.971994463445254,"density_atomic":0.10265511399960879,"volume":292.24067687572125,"volume_molar":5.866381639810901,"formula_full":"Li12 V4 O10 F4","formula_reduced":"Li6V2O5F2","formula_anonymous":"A2B2C5D6","energy":-190.89849867,"energy_per_atom":-6.363283289,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.38049867,"band_gap":1.2773,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0001738,"is_theoretical":true,"updated_at":"2021-11-28T01:38:46.788000Z","spacegroup":1},{"id":"mp-1033127","created_at":"2022-09-04T14:48:16.958634Z","structure_string":"Y1 Mg6 Al1 O8\n1.0\n9.085198 0.000000 0.000000\n0.000000 4.434700 0.000000\n-0.000000 0.000000 4.434700\nY Mg Al O\n1 6 1 8\ndirect\n-0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.269629 -0.000000 0.500000 Mg\n0.730371 0.000000 0.500000 Mg\n0.269629 0.500000 0.000000 Mg\n0.730371 0.500000 -0.000000 Mg\n-0.000000 0.000000 0.000000 Al\n0.275680 -0.000000 -0.000000 O\n0.724320 0.000000 0.000000 O\n0.260692 0.500000 0.500000 O\n0.739308 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Y","Mg","Al","O"],"chemical_system":"Al-Mg-O-Y","density":3.6218515336468373,"density_atomic":0.08954824819320462,"volume":178.67462873733987,"volume_molar":6.725023528106261,"formula_full":"Y1 Mg6 Al1 O8","formula_reduced":"YMg6AlO8","formula_anonymous":"ABC6D8","energy":-103.43145172,"energy_per_atom":-6.4644657325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.93545172,"band_gap":1.682999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002548,"is_theoretical":true,"updated_at":"2021-11-28T01:38:54.122000Z","spacegroup":123},{"id":"mp-703542","created_at":"2022-09-04T14:48:16.954712Z","structure_string":"Cd2 H16 N4 O20\n1.0\n-5.908951 0.000000 0.000000\n-2.946545 -5.593408 0.000000\n-2.952415 -0.012865 12.958200\nCd H N O\n2 16 4 20\ndirect\n0.246085 0.512210 0.499494 Cd\n0.999104 0.007889 0.000588 Cd\n0.989715 0.383166 0.114161 H\n0.622942 0.377390 0.886027 H\n0.756357 0.876321 0.615170 H\n0.357398 0.885534 0.385852 H\n0.057798 0.437209 0.995867 H\n0.503572 0.438550 0.004336 H\n0.756845 0.942789 0.496982 H\n0.300345 0.944080 0.504237 H\n0.631160 0.186613 0.330540 H\n0.180710 0.186530 0.668294 H\n0.106866 0.681331 0.831377 H\n0.219186 0.681333 0.170364 H\n0.769255 0.266241 0.396268 H\n0.967434 0.265283 0.600150 H\n0.823328 0.763023 0.896462 H\n0.419145 0.762724 0.102448 H\n0.019053 0.493064 0.320210 N\n0.491902 0.492787 0.678404 N\n0.419816 0.992499 0.820625 N\n0.591043 0.990931 0.179345 N\n0.007169 0.374820 0.403479 O\n0.621920 0.374503 0.595034 O\n0.461852 0.877063 0.905005 O\n0.661216 0.872086 0.096538 O\n0.151081 0.609225 0.309392 O\n0.245299 0.612760 0.688409 O\n0.183855 0.113888 0.809083 O\n0.710676 0.109484 0.188870 O\n0.901344 0.495970 0.252170 O\n0.607137 0.490909 0.747422 O\n0.606637 0.986869 0.752666 O\n0.407791 0.992390 0.248475 O\n0.080879 0.306818 0.046580 O\n0.616508 0.306086 0.955112 O\n0.819060 0.808382 0.545436 O\n0.371559 0.812256 0.454387 O\n0.635962 0.209287 0.402669 O\n0.156939 0.209580 0.595622 O\n0.006381 0.705385 0.903410 O\n0.292539 0.704261 0.097480 O\n","nsites":42,"nelements":4,"elements":["Cd","H","N","O"],"chemical_system":"Cd-H-N-O","density":2.3920884930030892,"density_atomic":0.09806583349345119,"volume":428.2837202704727,"volume_molar":6.140916306393457,"formula_full":"Cd2 H16 N4 O20","formula_reduced":"CdH8(NO5)2","formula_anonymous":"AB2C8D10","energy":-236.74150447,"energy_per_atom":-5.636702487380952,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-223.00150447,"band_gap":3.4636,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005888,"is_theoretical":true,"updated_at":"2021-11-28T01:40:10.853000Z","spacegroup":9}]}