{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10266","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10264","results":[{"id":"mp-761241","created_at":"2022-09-04T14:41:45.979921Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.242709 0.000000 0.000000\n0.139823 9.103530 0.000000\n0.044723 0.145352 10.214116\nLi Fe B O\n3 8 8 24\ndirect\n0.323409 0.330897 0.407213 Li\n0.661158 0.678368 0.667705 Li\n0.686019 0.672863 0.168812 Li\n0.164368 0.845443 0.626701 Fe\n0.172078 0.496637 0.125832 Fe\n0.327161 0.993564 0.880680 Fe\n0.311440 0.666930 0.380972 Fe\n0.673704 0.330952 0.629184 Fe\n0.672598 0.008300 0.128287 Fe\n0.841296 0.151659 0.375660 Fe\n0.823103 0.493210 0.881308 Fe\n0.167509 0.505313 0.624989 B\n0.170789 0.826090 0.124218 B\n0.342081 0.005447 0.378680 B\n0.321457 0.668394 0.874549 B\n0.658888 0.997372 0.630247 B\n0.671956 0.334661 0.133037 B\n0.828870 0.491972 0.374379 B\n0.827539 0.162918 0.874544 B\n0.091253 0.486270 0.337637 O\n0.084622 0.142723 0.873081 O\n0.192396 0.798245 0.831059 O\n0.246082 0.877258 0.436645 O\n0.212926 0.135047 0.385254 O\n0.179420 0.558882 0.936450 O\n0.315987 0.381807 0.614133 O\n0.327670 0.936368 0.074465 O\n0.279809 0.642091 0.597196 O\n0.295636 0.696733 0.167250 O\n0.412920 0.346211 0.142096 O\n0.411023 0.993022 0.681505 O\n0.579949 0.995697 0.316547 O\n0.575074 0.654260 0.853749 O\n0.716532 0.289126 0.820523 O\n0.718668 0.364459 0.428144 O\n0.689799 0.616568 0.352827 O\n0.668993 0.056307 0.931039 O\n0.810581 0.459923 0.094601 O\n0.803927 0.870397 0.628604 O\n0.750278 0.128033 0.582057 O\n0.799704 0.204746 0.162135 O\n0.912311 0.842175 0.130596 O\n0.907878 0.502774 0.656815 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.195300996232162,"density_atomic":0.08820680459907318,"volume":487.49073493193765,"volume_molar":6.827297267339484,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.43429257,"energy_per_atom":-7.963588199302326,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.89829257,"band_gap":1.3929000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":36.9713668,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.717000Z","spacegroup":1},{"id":"mp-760324","created_at":"2022-09-04T14:44:03.168825Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n-5.234941 0.000000 0.000000\n-0.094137 -9.128540 0.000000\n2.607190 4.462881 10.126719\nLi Fe B O\n3 8 8 24\ndirect\n0.281765 0.276141 0.898889 Li\n0.266275 0.252114 0.162057 Li\n0.970356 0.984882 0.631446 Li\n0.013881 0.348593 0.380856 Fe\n0.256918 0.928213 0.876365 Fe\n0.466628 0.164293 0.627654 Fe\n0.252920 0.572925 0.132463 Fe\n0.772413 0.444504 0.880853 Fe\n0.519195 0.854535 0.377850 Fe\n0.982920 0.643646 0.631896 Fe\n0.734330 0.054775 0.120945 Fe\n0.031998 0.691979 0.387702 B\n0.273452 0.596486 0.873620 B\n0.482847 0.817120 0.627274 B\n0.237041 0.904410 0.134124 B\n0.517934 0.179624 0.368947 B\n0.768242 0.114752 0.880331 B\n0.963741 0.314497 0.633738 B\n0.734260 0.384124 0.119420 B\n0.021708 0.101709 0.866076 O\n0.122324 0.695100 0.824453 O\n0.154243 0.496753 0.917620 O\n0.098899 0.188520 0.639445 O\n0.042965 0.411545 0.574851 O\n0.236167 0.829229 0.660703 O\n0.257014 0.681548 0.341354 O\n0.535630 0.596652 0.881619 O\n0.613929 0.225497 0.845074 O\n0.460684 0.079390 0.424798 O\n0.349010 0.289056 0.351399 O\n0.652074 0.022620 0.930476 O\n0.351555 0.007322 0.090181 O\n0.639254 0.699874 0.636284 O\n0.566262 0.930456 0.586115 O\n0.393763 0.805546 0.180305 O\n0.467902 0.379835 0.109589 O\n0.745021 0.352433 0.684634 O\n0.750554 0.167932 0.325395 O\n0.964942 0.573008 0.428534 O\n0.877795 0.816185 0.399225 O\n0.862616 0.477484 0.076701 O\n0.890510 0.283756 0.171347 O\n0.974503 0.906124 0.128789 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2188168596348987,"density_atomic":0.08885596383965477,"volume":483.9292506870529,"volume_molar":6.777418757020371,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.38784729,"energy_per_atom":-7.962508076511629,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.85184729,"band_gap":1.5066000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.0023992,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.723000Z","spacegroup":1},{"id":"mp-759167","created_at":"2022-09-04T14:43:15.873124Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.257395 0.000000 0.000000\n0.155122 9.122295 0.000000\n0.117080 0.086916 10.137782\nLi Fe B O\n3 8 8 24\ndirect\n0.182065 0.169361 0.142852 Li\n0.321891 0.333500 0.411668 Li\n0.659533 0.673187 0.657134 Li\n0.154352 0.849393 0.630106 Fe\n0.182216 0.503984 0.128212 Fe\n0.329968 0.999072 0.868916 Fe\n0.327818 0.670711 0.378848 Fe\n0.663078 0.334749 0.635047 Fe\n0.673119 0.995357 0.122954 Fe\n0.830240 0.152908 0.384340 Fe\n0.832653 0.491987 0.883386 Fe\n0.168305 0.505406 0.621426 B\n0.169746 0.836981 0.133266 B\n0.338860 0.001806 0.371846 B\n0.324050 0.665125 0.873811 B\n0.658711 0.995850 0.627431 B\n0.673267 0.323420 0.129888 B\n0.829808 0.493875 0.378640 B\n0.829345 0.166792 0.883866 B\n0.091588 0.501272 0.349502 O\n0.084927 0.148111 0.891667 O\n0.218914 0.801473 0.841819 O\n0.241216 0.874644 0.422457 O\n0.192369 0.129146 0.360717 O\n0.169104 0.556891 0.925749 O\n0.298677 0.376878 0.603805 O\n0.314299 0.958211 0.089041 O\n0.281211 0.638266 0.581743 O\n0.290997 0.713270 0.183681 O\n0.415229 0.328101 0.144355 O\n0.411843 0.010480 0.678799 O\n0.590741 0.005277 0.326310 O\n0.577452 0.636951 0.850340 O\n0.720145 0.296205 0.838277 O\n0.728469 0.356287 0.410500 O\n0.674830 0.613805 0.380518 O\n0.667870 0.055200 0.928907 O\n0.814418 0.437914 0.078556 O\n0.784027 0.865016 0.628771 O\n0.767439 0.122005 0.572498 O\n0.812133 0.194151 0.168825 O\n0.913245 0.847084 0.127055 O\n0.918689 0.510006 0.673872 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2037636722026304,"density_atomic":0.08844041814802915,"volume":486.2030381632499,"volume_molar":6.809263101764518,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.41599103,"energy_per_atom":-7.963162582093023,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.87999103,"band_gap":1.4476,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9720301,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.662000Z","spacegroup":1},{"id":"mp-764621","created_at":"2022-09-04T14:40:10.752863Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n-5.294019 0.000000 0.000000\n-0.038472 -9.102221 0.000000\n2.631479 4.451841 10.121978\nLi Fe B O\n3 8 8 24\ndirect\n0.811900 0.174148 0.334121 Li\n0.074917 0.407731 0.840339 Li\n0.573273 0.906106 0.836677 Li\n0.600500 0.590284 0.874119 Fe\n0.905489 0.888255 0.118943 Fe\n0.161403 0.481908 0.622457 Fe\n0.345264 0.020364 0.373515 Fe\n0.656532 0.981598 0.621451 Fe\n0.846453 0.527550 0.368911 Fe\n0.099153 0.091803 0.875636 Fe\n0.394914 0.395986 0.118657 Fe\n0.360474 0.356140 0.370194 B\n0.102056 0.765572 0.871171 B\n0.848627 0.856903 0.371702 B\n0.602934 0.263376 0.872114 B\n0.152849 0.145591 0.628207 B\n0.395860 0.728409 0.119144 B\n0.655662 0.643173 0.622886 B\n0.902841 0.234584 0.129259 B\n0.872967 0.788002 0.917212 O\n0.528650 0.542370 0.660884 O\n0.817817 0.102344 0.143650 O\n0.480913 0.225632 0.370397 O\n0.122593 0.388130 0.412627 O\n0.181797 0.608582 0.823009 O\n0.737454 0.386847 0.867508 O\n0.937857 0.962477 0.323188 O\n0.274816 0.868869 0.162355 O\n0.365103 0.094907 0.577985 O\n0.068832 0.293446 0.641027 O\n0.620276 0.731155 0.075872 O\n0.373719 0.287315 0.918227 O\n0.640002 0.899979 0.429325 O\n0.685801 0.108256 0.830011 O\n0.024224 0.050071 0.669762 O\n0.290575 0.588928 0.113520 O\n0.775015 0.375194 0.170235 O\n0.864732 0.589353 0.565217 O\n0.583645 0.793645 0.647522 O\n0.956490 0.717588 0.362075 O\n0.241243 0.889250 0.870420 O\n0.461537 0.464317 0.327604 O\n0.115889 0.234806 0.079069 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.1935952990856804,"density_atomic":0.08815971855144189,"volume":487.7511034124861,"volume_molar":6.83094372231467,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.62168081,"energy_per_atom":-7.967946065348837,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.08568081,"band_gap":1.496,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9696393,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.995000Z","spacegroup":1},{"id":"mp-759466","created_at":"2022-09-04T14:40:32.043868Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.250366 0.000000 0.000000\n0.232373 9.203190 0.000000\n0.201685 0.136108 10.081781\nLi Fe B O\n3 8 8 24\ndirect\n0.324365 0.328685 0.411961 Li\n0.325633 0.325019 0.918663 Li\n0.828999 0.824195 0.901527 Li\n0.175050 0.836366 0.634794 Fe\n0.183412 0.502309 0.128320 Fe\n0.312744 0.001930 0.878329 Fe\n0.326474 0.668364 0.375151 Fe\n0.676800 0.333901 0.636114 Fe\n0.666168 0.004954 0.126180 Fe\n0.835182 0.157922 0.375130 Fe\n0.821290 0.501340 0.879987 Fe\n0.165347 0.502267 0.619339 B\n0.165702 0.836645 0.129716 B\n0.342270 0.001562 0.381898 B\n0.333452 0.664524 0.875260 B\n0.661599 0.002265 0.629694 B\n0.676656 0.328233 0.125206 B\n0.832532 0.494227 0.378140 B\n0.827032 0.168230 0.877632 B\n0.095719 0.494654 0.353007 O\n0.083501 0.176342 0.877670 O\n0.184073 0.788401 0.834340 O\n0.244436 0.871309 0.428706 O\n0.197389 0.128571 0.382779 O\n0.208646 0.538218 0.910162 O\n0.329121 0.383846 0.610829 O\n0.326304 0.945828 0.086595 O\n0.248448 0.638296 0.577497 O\n0.265678 0.710504 0.185323 O\n0.418999 0.331746 0.114515 O\n0.408505 0.992117 0.667697 O\n0.593871 0.002300 0.333793 O\n0.590163 0.675513 0.879542 O\n0.672706 0.286044 0.831066 O\n0.728173 0.358638 0.418710 O\n0.675912 0.611700 0.368092 O\n0.696025 0.046008 0.924645 O\n0.831424 0.436371 0.081835 O\n0.828395 0.889617 0.647127 O\n0.742794 0.135548 0.573888 O\n0.793550 0.196798 0.177938 O\n0.907959 0.851078 0.108080 O\n0.916785 0.485646 0.663741 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.1975173859597468,"density_atomic":0.088267988398611,"volume":487.15282607116325,"volume_molar":6.822564861005449,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.27644291,"energy_per_atom":-7.959917276976745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.74044291,"band_gap":1.2487,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":36.9822537,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.238000Z","spacegroup":1},{"id":"mp-764941","created_at":"2022-09-04T14:39:21.987613Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.297097 0.000000 0.000000\n0.040533 9.091948 0.000000\n0.034126 0.103167 10.123569\nLi Fe B O\n3 8 8 24\ndirect\n0.651926 0.985753 0.833158 Li\n0.156680 0.490234 0.843981 Li\n0.645390 0.006531 0.333780 Li\n0.846686 0.830050 0.119740 Fe\n0.158433 0.836185 0.371961 Fe\n0.662778 0.654313 0.875653 Fe\n0.345273 0.670629 0.621973 Fe\n0.661606 0.343251 0.369156 Fe\n0.850711 0.171051 0.621866 Fe\n0.335868 0.335780 0.119375 Fe\n0.161334 0.153745 0.874115 Fe\n0.838862 0.831166 0.627260 B\n0.661573 0.670805 0.371950 B\n0.165886 0.829978 0.872221 B\n0.338247 0.668259 0.119188 B\n0.666559 0.327712 0.870791 B\n0.344896 0.332347 0.623945 B\n0.837614 0.170332 0.129241 B\n0.174908 0.170338 0.370106 B\n0.747932 0.973311 0.639110 O\n0.912552 0.833489 0.917607 O\n0.305648 0.955164 0.869491 O\n0.775933 0.799779 0.322787 O\n0.690156 0.715596 0.670861 O\n0.193598 0.786239 0.162783 O\n0.076081 0.806219 0.577067 O\n0.584692 0.691999 0.077391 O\n0.775497 0.535914 0.361857 O\n0.426828 0.684855 0.430676 O\n0.268468 0.696440 0.828912 O\n0.803405 0.452353 0.868242 O\n0.235498 0.531082 0.112066 O\n0.689386 0.290354 0.170689 O\n0.582656 0.307162 0.565339 O\n0.262458 0.469620 0.650850 O\n0.416446 0.324234 0.918581 O\n0.916878 0.181906 0.412457 O\n0.770795 0.194212 0.822942 O\n0.296618 0.299763 0.326939 O\n0.198935 0.211819 0.660727 O\n0.745749 0.031315 0.144228 O\n0.073431 0.196093 0.076323 O\n0.294081 0.039471 0.370825 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.194843762241804,"density_atomic":0.08819418258027398,"volume":487.56050276741985,"volume_molar":6.828274364376214,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.6428229,"energy_per_atom":-7.968437741860465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.1068229,"band_gap":1.114,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9692083,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.363000Z","spacegroup":1},{"id":"mp-761234","created_at":"2022-09-04T14:42:15.673537Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.259445 0.000000 0.000000\n0.105273 9.171189 0.000000\n0.024860 0.152570 10.082041\nLi Fe B O\n3 8 8 24\ndirect\n0.181613 0.169222 0.157822 Li\n0.332164 0.325768 0.887945 Li\n0.661242 0.670980 0.648024 Li\n0.164487 0.840233 0.631847 Fe\n0.183835 0.504194 0.133846 Fe\n0.308801 0.995282 0.877280 Fe\n0.333112 0.667304 0.374873 Fe\n0.665500 0.335028 0.625675 Fe\n0.672846 0.997591 0.122734 Fe\n0.826144 0.158399 0.385585 Fe\n0.832830 0.497616 0.880859 Fe\n0.166567 0.507635 0.635330 B\n0.167614 0.838301 0.133075 B\n0.336401 0.996746 0.373646 B\n0.326467 0.657898 0.867295 B\n0.661167 0.992661 0.626518 B\n0.670149 0.324883 0.121115 B\n0.838207 0.498233 0.381302 B\n0.827684 0.174580 0.886844 B\n0.091185 0.512824 0.342446 O\n0.086107 0.171583 0.890764 O\n0.200541 0.784841 0.828308 O\n0.253437 0.867816 0.432525 O\n0.174327 0.111820 0.352490 O\n0.190278 0.539464 0.919296 O\n0.308489 0.386526 0.650012 O\n0.309906 0.960495 0.092533 O\n0.274316 0.639838 0.584038 O\n0.295717 0.714434 0.179117 O\n0.409993 0.325172 0.111728 O\n0.408270 0.992509 0.667994 O\n0.587935 0.005654 0.329024 O\n0.583031 0.643752 0.850026 O\n0.698228 0.302094 0.841966 O\n0.751541 0.359938 0.417584 O\n0.678787 0.615903 0.390121 O\n0.677676 0.059451 0.930159 O\n0.814859 0.441626 0.076695 O\n0.803725 0.866274 0.632794 O\n0.766432 0.121072 0.577643 O\n0.803034 0.199258 0.170626 O\n0.910201 0.845723 0.125680 O\n0.910888 0.513862 0.676222 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2030529661861795,"density_atomic":0.08842079899265243,"volume":486.310918809648,"volume_molar":6.810773967899143,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.52769938,"energy_per_atom":-7.965760450697674,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.99169938,"band_gap":1.6831000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9968687,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.246000Z","spacegroup":1},{"id":"mp-764506","created_at":"2022-09-04T14:41:01.427651Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.235736 0.000000 0.000000\n0.065674 9.107199 0.000000\n0.134601 0.072276 10.180887\nLi Fe B O\n3 8 8 24\ndirect\n0.148426 0.178956 0.663365 Li\n0.186978 0.169757 0.159674 Li\n0.330165 0.334691 0.398892 Li\n0.161658 0.830145 0.629224 Fe\n0.182969 0.505540 0.125612 Fe\n0.329934 0.992106 0.877995 Fe\n0.332761 0.669369 0.374343 Fe\n0.654305 0.349413 0.630433 Fe\n0.669678 0.996329 0.130149 Fe\n0.830411 0.153970 0.384599 Fe\n0.830232 0.498062 0.883008 Fe\n0.151572 0.498497 0.622506 B\n0.162824 0.836834 0.131524 B\n0.340964 0.998609 0.376923 B\n0.335397 0.665318 0.876061 B\n0.672125 0.004353 0.633652 B\n0.678507 0.322655 0.125453 B\n0.827558 0.496488 0.375213 B\n0.819811 0.166494 0.876234 B\n0.093225 0.499009 0.344722 O\n0.078172 0.141017 0.857316 O\n0.222113 0.797398 0.827364 O\n0.240089 0.871374 0.434533 O\n0.206449 0.127988 0.369846 O\n0.175204 0.557995 0.923747 O\n0.279840 0.367498 0.601991 O\n0.305672 0.959497 0.081490 O\n0.257527 0.630861 0.575504 O\n0.292563 0.717621 0.182506 O\n0.420521 0.326009 0.144003 O\n0.405960 0.004738 0.670741 O\n0.583375 0.992002 0.321809 O\n0.590516 0.651548 0.876544 O\n0.708510 0.297303 0.840808 O\n0.717476 0.364553 0.416225 O\n0.679941 0.619610 0.367746 O\n0.667527 0.053261 0.928570 O\n0.821098 0.438842 0.076792 O\n0.813359 0.879146 0.638972 O\n0.782137 0.135471 0.593936 O\n0.816853 0.192430 0.160408 O\n0.906743 0.845098 0.126220 O\n0.917717 0.502254 0.684745 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2087062280261884,"density_atomic":0.08857685820681006,"volume":485.45411149719496,"volume_molar":6.798774399899633,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.15415964,"energy_per_atom":-7.95707348,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.61815964,"band_gap":1.1171999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.003515,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.357000Z","spacegroup":1},{"id":"mp-764535","created_at":"2022-09-04T14:41:08.222805Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.265509 0.000000 0.000000\n-0.038600 9.163377 0.000000\n-2.558711 -4.468104 10.119455\nLi Fe B O\n3 8 8 24\ndirect\n0.822541 0.493203 0.342936 Li\n0.323331 0.989197 0.334303 Li\n0.603368 0.244961 0.834310 Li\n0.647533 0.646811 0.623806 Fe\n0.387376 0.067742 0.115823 Fe\n0.836544 0.846045 0.376678 Fe\n0.109109 0.440984 0.870057 Fe\n0.896380 0.569581 0.124613 Fe\n0.133956 0.146389 0.616952 Fe\n0.336380 0.345602 0.373738 Fe\n0.624196 0.931237 0.870492 Fe\n0.644855 0.319723 0.627438 B\n0.388407 0.398074 0.123878 B\n0.842651 0.183476 0.370141 B\n0.107724 0.114214 0.874197 B\n0.150095 0.810708 0.621815 B\n0.890580 0.899688 0.126031 B\n0.347480 0.682402 0.371943 B\n0.605492 0.597448 0.868862 B\n0.153706 0.934895 0.146585 O\n0.302295 0.288726 0.165548 O\n0.205476 0.477520 0.066490 O\n0.461812 0.815239 0.371259 O\n0.494808 0.578281 0.415490 O\n0.570314 0.145308 0.326936 O\n0.919634 0.327849 0.670845 O\n0.650375 0.433080 0.142105 O\n0.806590 0.783042 0.163569 O\n0.041698 0.928273 0.580829 O\n0.990304 0.689460 0.614644 O\n0.709696 0.981417 0.075223 O\n0.279234 0.026516 0.924052 O\n0.960391 0.312908 0.367512 O\n0.996871 0.081808 0.418732 O\n0.225514 0.219305 0.829226 O\n0.348250 0.589473 0.870479 O\n0.071570 0.644552 0.324563 O\n0.420942 0.818587 0.662665 O\n0.535401 0.422340 0.574966 O\n0.495257 0.209056 0.643223 O\n0.767501 0.496632 0.916447 O\n0.715532 0.693140 0.822411 O\n0.848731 0.107108 0.866399 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.1902528350982147,"density_atomic":0.08806744928849311,"volume":488.26212576158235,"volume_molar":6.838100579332724,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.60442538,"energy_per_atom":-7.96754477627907,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.06842538,"band_gap":1.4546,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9691362,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.738000Z","spacegroup":1},{"id":"mp-777347","created_at":"2022-09-04T14:41:32.984972Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.219899 0.000000 0.000000\n0.092043 9.114382 0.000000\n0.098107 0.121166 10.193356\nLi Fe B O\n3 8 8 24\ndirect\n0.149305 0.172998 0.658247 Li\n0.186785 0.169729 0.169749 Li\n0.334001 0.325933 0.905431 Li\n0.165860 0.826858 0.632144 Fe\n0.188934 0.508280 0.131502 Fe\n0.320424 0.988910 0.879267 Fe\n0.337192 0.662870 0.376848 Fe\n0.652803 0.352186 0.621274 Fe\n0.671306 0.995246 0.123676 Fe\n0.814623 0.162232 0.383967 Fe\n0.833250 0.501726 0.878990 Fe\n0.150074 0.497798 0.630003 B\n0.166895 0.839386 0.135491 B\n0.329300 0.993953 0.377523 B\n0.339201 0.659418 0.872352 B\n0.666552 0.002144 0.628885 B\n0.676042 0.321870 0.118605 B\n0.841688 0.500275 0.373996 B\n0.824826 0.174572 0.879493 B\n0.098003 0.506898 0.335874 O\n0.087215 0.168467 0.861940 O\n0.214104 0.783848 0.824283 O\n0.247022 0.863742 0.434604 O\n0.167657 0.111904 0.360261 O\n0.196719 0.537828 0.915822 O\n0.280245 0.367786 0.631342 O\n0.304784 0.964996 0.093374 O\n0.256219 0.626638 0.576967 O\n0.300496 0.717875 0.180821 O\n0.413422 0.322454 0.108451 O\n0.402847 0.002590 0.660274 O\n0.582017 0.005279 0.331734 O\n0.597668 0.655074 0.880888 O\n0.687989 0.301847 0.841990 O\n0.746371 0.364603 0.415946 O\n0.686607 0.620198 0.373194 O\n0.686563 0.058988 0.933512 O\n0.826864 0.435210 0.074058 O\n0.818384 0.882147 0.640473 O\n0.777469 0.134547 0.581867 O\n0.805089 0.195997 0.172795 O\n0.908180 0.843885 0.130227 O\n0.904743 0.505298 0.683262 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.211971049613992,"density_atomic":0.08866698413866618,"volume":484.96066960789324,"volume_molar":6.791863756843226,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.31789805,"energy_per_atom":-7.96088135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.78189805,"band_gap":1.3934,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9986638,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.961000Z","spacegroup":1},{"id":"mp-761214","created_at":"2022-09-04T14:41:31.286659Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n-5.243531 0.000000 0.000000\n-0.104213 -9.119736 0.000000\n2.589174 4.442316 10.192182\nLi Fe B O\n3 8 8 24\ndirect\n0.029321 0.034167 0.406570 Li\n0.490107 0.506722 0.660573 Li\n0.766899 0.747707 0.159268 Li\n0.012423 0.359825 0.370880 Fe\n0.269146 0.938694 0.886993 Fe\n0.493242 0.147600 0.633487 Fe\n0.231145 0.559148 0.124129 Fe\n0.760374 0.434841 0.880770 Fe\n0.517217 0.840858 0.383627 Fe\n0.976622 0.660882 0.630998 Fe\n0.750076 0.066382 0.125791 Fe\n0.032588 0.687717 0.374279 B\n0.255074 0.604711 0.872202 B\n0.472085 0.813786 0.632139 B\n0.241657 0.885039 0.128585 B\n0.520175 0.189253 0.385407 B\n0.767146 0.098111 0.872040 B\n0.979482 0.316418 0.619363 B\n0.728596 0.406588 0.133447 B\n0.025000 0.084120 0.873874 O\n0.106514 0.713255 0.828173 O\n0.141445 0.529855 0.934831 O\n0.126971 0.190044 0.611319 O\n0.069663 0.437279 0.586042 O\n0.243344 0.833335 0.676864 O\n0.251646 0.648489 0.321633 O\n0.495167 0.576440 0.847280 O\n0.629119 0.200943 0.820711 O\n0.440044 0.073900 0.426955 O\n0.362465 0.306461 0.379566 O\n0.635010 0.013925 0.921809 O\n0.356706 0.974187 0.076307 O\n0.615296 0.685672 0.629523 O\n0.550530 0.922467 0.587475 O\n0.400382 0.776225 0.165705 O\n0.469235 0.407200 0.126879 O\n0.738873 0.330242 0.654378 O\n0.766258 0.179553 0.353605 O\n0.954446 0.590056 0.432737 O\n0.897049 0.812482 0.365198 O\n0.849363 0.508981 0.092657 O\n0.880200 0.306220 0.182204 O\n0.991459 0.901036 0.145129 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.195985971292462,"density_atomic":0.08822571344721311,"volume":487.38625418685456,"volume_molar":6.825834016749716,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.29466936,"energy_per_atom":-7.960341147906977,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.75866936,"band_gap":1.4945000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":37.0025477,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.567000Z","spacegroup":1},{"id":"mp-764796","created_at":"2022-09-04T14:40:21.508380Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.296962 0.000000 0.000000\n-0.049709 9.047791 0.000000\n-2.469950 -4.479183 10.110643\nLi Fe B O\n3 8 8 24\ndirect\n0.825444 0.182567 0.339955 Li\n0.399552 0.036406 0.091684 Li\n0.065796 0.405120 0.836781 Li\n0.593611 0.606681 0.870799 Fe\n0.910230 0.891242 0.119667 Fe\n0.154998 0.475153 0.613037 Fe\n0.344116 0.013090 0.374940 Fe\n0.650179 0.981561 0.628961 Fe\n0.852610 0.534463 0.367460 Fe\n0.095298 0.084355 0.869451 Fe\n0.398218 0.399902 0.125024 Fe\n0.350945 0.342610 0.365779 B\n0.114513 0.760232 0.875227 B\n0.857930 0.867537 0.376541 B\n0.592468 0.275490 0.871369 B\n0.145636 0.141333 0.623946 B\n0.400997 0.728441 0.122826 B\n0.653589 0.643261 0.623857 B\n0.892133 0.231515 0.123788 B\n0.881601 0.764485 0.912102 O\n0.528479 0.543173 0.667119 O\n0.779425 0.104498 0.138962 O\n0.469555 0.205658 0.361782 O\n0.122823 0.373058 0.413008 O\n0.205814 0.606208 0.823350 O\n0.714737 0.407435 0.866762 O\n0.961073 0.982574 0.337764 O\n0.309611 0.882325 0.176196 O\n0.361547 0.094659 0.571388 O\n0.061794 0.289489 0.640722 O\n0.604081 0.721194 0.062764 O\n0.362015 0.289071 0.916648 O\n0.637091 0.908266 0.427992 O\n0.697287 0.128403 0.826389 O\n0.024977 0.039289 0.663658 O\n0.285238 0.596322 0.125129 O\n0.773605 0.373750 0.150578 O\n0.870937 0.591964 0.575381 O\n0.558365 0.783334 0.629032 O\n0.967275 0.732932 0.363274 O\n0.253539 0.899747 0.898702 O\n0.454176 0.446397 0.321839 O\n0.131398 0.218485 0.086968 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2146222584889066,"density_atomic":0.08874017119160946,"volume":484.56070596430993,"volume_molar":6.78626227460941,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.36508299,"energy_per_atom":-7.961978674186047,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.82908299,"band_gap":1.6373,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.0053015,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.501000Z","spacegroup":1}]}