{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10268","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=10266","results":[{"id":"mp-764815","created_at":"2022-09-04T14:42:26.455566Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.255842 0.000000 0.000000\n-2.575648 4.598809 0.000000\n-0.142393 -0.204307 20.077770\nLi Fe B O\n3 8 8 24\ndirect\n0.641809 0.667126 0.081128 Li\n0.666217 0.642225 0.829183 Li\n0.344042 0.344506 0.450766 Li\n0.018343 0.677083 0.189537 Fe\n0.998983 0.673395 0.690185 Fe\n0.315697 0.008484 0.062909 Fe\n0.324845 0.994913 0.564952 Fe\n0.681114 0.993680 0.439250 Fe\n0.676263 0.015407 0.939353 Fe\n0.995214 0.333359 0.316517 Fe\n0.008584 0.314371 0.812669 Fe\n0.996246 0.336985 0.064166 B\n0.997703 0.337091 0.563353 B\n0.673444 0.012034 0.188239 B\n0.660760 0.003117 0.687964 B\n0.337913 0.001712 0.314873 B\n0.338728 0.994878 0.814076 B\n0.001295 0.664709 0.440250 B\n0.009736 0.671313 0.936756 B\n0.887813 0.275632 0.215143 O\n0.882841 0.271811 0.709737 O\n0.745517 0.082925 0.041275 O\n0.964989 0.574076 0.086649 O\n0.725770 0.114619 0.543692 O\n0.020632 0.598280 0.586710 O\n0.407399 0.984375 0.168055 O\n0.737451 0.651166 0.440103 O\n0.395786 0.983962 0.666697 O\n0.778167 0.719397 0.928761 O\n0.726515 0.786119 0.177888 O\n0.695978 0.764433 0.690005 O\n0.287979 0.229100 0.322309 O\n0.351251 0.257813 0.815155 O\n0.261177 0.352001 0.065599 O\n0.601650 0.022892 0.334425 O\n0.238237 0.303647 0.555220 O\n0.578195 0.966054 0.836309 O\n0.031075 0.426217 0.417759 O\n0.978082 0.402565 0.918748 O\n0.256262 0.913613 0.462528 O\n0.274634 0.887723 0.961193 O\n0.119596 0.733949 0.288949 O\n0.085847 0.742273 0.791668 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.209777972325958,"density_atomic":0.08860644388282035,"volume":485.29201845484675,"volume_molar":6.7965042903246635,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.7422439,"energy_per_atom":-7.970749858139535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.2062439,"band_gap":1.7432999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.0756298,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.868000Z","spacegroup":1},{"id":"mp-764938","created_at":"2022-09-04T14:42:25.327833Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n-5.287204 0.000000 0.000000\n-0.030804 -9.071023 0.000000\n2.527658 4.489694 10.124084\nLi Fe B O\n3 8 8 24\ndirect\n0.600446 0.944985 0.904169 Li\n0.935114 0.569763 0.165498 Li\n0.674963 0.332976 0.652215 Li\n0.406250 0.734890 0.126708 Fe\n0.098385 0.774514 0.875661 Fe\n0.847683 0.859966 0.383501 Fe\n0.651304 0.653385 0.628375 Fe\n0.349290 0.353566 0.372944 Fe\n0.152809 0.150184 0.628853 Fe\n0.901914 0.214897 0.131887 Fe\n0.593675 0.274065 0.880150 Fe\n0.651895 0.985532 0.633218 B\n0.889357 0.883466 0.123616 B\n0.138534 0.482278 0.624959 B\n0.404982 0.406058 0.130093 B\n0.849861 0.518821 0.378674 B\n0.594443 0.603971 0.871835 B\n0.353561 0.020581 0.375015 B\n0.109012 0.109082 0.881903 B\n0.120577 0.850173 0.085441 O\n0.473662 0.877854 0.325622 O\n0.234387 0.980057 0.885528 O\n0.547554 0.859451 0.648503 O\n0.856442 0.969933 0.572356 O\n0.795664 0.777560 0.172449 O\n0.280875 0.540019 0.131834 O\n0.027974 0.628891 0.662707 O\n0.693845 0.710750 0.827317 O\n0.631659 0.525562 0.430977 O\n0.927346 0.645649 0.354951 O\n0.396609 0.652576 0.935622 O\n0.634994 0.374751 0.083385 O\n0.380593 0.474285 0.587316 O\n0.304616 0.304571 0.177301 O\n0.976452 0.379082 0.343135 O\n0.690390 0.457670 0.850229 O\n0.220552 0.219195 0.845608 O\n0.131770 0.013707 0.418490 O\n0.459660 0.162740 0.385448 O\n0.021273 0.351075 0.626658 O\n0.752719 0.002695 0.106020 O\n0.557235 0.138500 0.679343 O\n0.864969 0.135352 0.915888 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2080421477383863,"density_atomic":0.08855852616226922,"volume":485.55460285336534,"volume_molar":6.800181779183404,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.59454419,"energy_per_atom":-7.967314981162791,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.05854419,"band_gap":1.7381999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.977028,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.525000Z","spacegroup":1},{"id":"mp-774421","created_at":"2022-09-04T14:45:13.485505Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.248897 0.000000 0.000000\n0.093885 9.155824 0.000000\n0.008950 0.120313 10.103316\nLi Fe B O\n3 8 8 24\ndirect\n0.152560 0.172593 0.654247 Li\n0.329678 0.331719 0.392942 Li\n0.681685 0.673988 0.156244 Li\n0.165311 0.832043 0.626808 Fe\n0.171657 0.498673 0.129566 Fe\n0.329850 0.991843 0.885312 Fe\n0.335800 0.663604 0.381395 Fe\n0.651690 0.344738 0.629976 Fe\n0.684382 0.004542 0.128667 Fe\n0.831041 0.159153 0.374942 Fe\n0.828338 0.500962 0.872791 Fe\n0.153546 0.499039 0.625834 B\n0.166316 0.825167 0.123902 B\n0.334604 0.004834 0.387534 B\n0.329258 0.666581 0.880288 B\n0.670363 0.001542 0.630244 B\n0.675595 0.338615 0.133944 B\n0.832540 0.488273 0.366262 B\n0.826581 0.166524 0.874331 B\n0.092160 0.483171 0.330634 O\n0.080904 0.140757 0.850702 O\n0.220627 0.795074 0.828137 O\n0.235493 0.874141 0.433750 O\n0.192079 0.132328 0.390525 O\n0.169165 0.556762 0.929084 O\n0.277668 0.367548 0.603230 O\n0.312976 0.939951 0.075902 O\n0.263048 0.629631 0.586689 O\n0.300375 0.697012 0.164789 O\n0.418147 0.350239 0.143866 O\n0.410572 0.002236 0.670691 O\n0.583098 0.009653 0.339860 O\n0.584022 0.649204 0.888909 O\n0.716132 0.301605 0.844283 O\n0.721888 0.359951 0.417814 O\n0.692702 0.610126 0.347942 O\n0.671835 0.056505 0.922820 O\n0.815227 0.458915 0.084365 O\n0.816872 0.879923 0.637430 O\n0.774329 0.133390 0.582483 O\n0.806927 0.215192 0.178619 O\n0.910145 0.831079 0.132734 O\n0.911671 0.501284 0.680914 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2081060623265185,"density_atomic":0.08856029053488798,"volume":485.5449292260431,"volume_molar":6.800046300240627,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.51713149,"energy_per_atom":-7.965514685813954,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.98113149,"band_gap":1.3921,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9956878,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.550000Z","spacegroup":1},{"id":"mp-849619","created_at":"2022-09-04T14:47:03.110092Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n-5.258280 0.000000 0.000000\n2.597718 4.589768 0.000000\n-0.036737 -0.188786 -20.163927\nLi Fe B O\n3 8 8 24\ndirect\n0.359664 0.332354 0.667885 Li\n0.332209 0.356998 0.920471 Li\n0.333749 0.359127 0.418090 Li\n0.323201 0.983439 0.810542 Fe\n0.322229 0.982067 0.310223 Fe\n0.991018 0.684806 0.937471 Fe\n0.993485 0.684763 0.436684 Fe\n0.984458 0.324735 0.560210 Fe\n0.999455 0.327866 0.059537 Fe\n0.685440 0.992309 0.686550 Fe\n0.672894 0.000711 0.183962 Fe\n0.660307 0.004094 0.935940 B\n0.664616 0.004764 0.435585 B\n0.989558 0.327042 0.813264 B\n0.990475 0.328304 0.311759 B\n0.004665 0.663019 0.685757 B\n0.999720 0.659243 0.185442 B\n0.327434 0.989582 0.562673 B\n0.335240 0.997459 0.061702 B\n0.725255 0.111068 0.788268 O\n0.727381 0.117447 0.283830 O\n0.912624 0.257915 0.958817 O\n0.421629 0.032577 0.913594 O\n0.918055 0.256368 0.458625 O\n0.427424 0.035988 0.412816 O\n0.020701 0.595376 0.831634 O\n0.280479 0.221465 0.570161 O\n0.018548 0.592914 0.332377 O\n0.300734 0.235647 0.059287 O\n0.220914 0.279233 0.821632 O\n0.214886 0.273444 0.322273 O\n0.740698 0.649000 0.684172 O\n0.767169 0.702362 0.183505 O\n0.648959 0.742465 0.935086 O\n0.036168 0.425107 0.663577 O\n0.649924 0.741460 0.434045 O\n0.989580 0.402115 0.163090 O\n0.596017 0.021415 0.581365 O\n0.598480 0.019102 0.084513 O\n0.111286 0.725046 0.538098 O\n0.116376 0.727491 0.039835 O\n0.256367 0.917930 0.708408 O\n0.268423 0.878585 0.211350 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.200874026506619,"density_atomic":0.08836064900779192,"volume":486.64196656373724,"volume_molar":6.815410284581487,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.78474582,"energy_per_atom":-7.971738274883721,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.24874582,"band_gap":1.394,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.0164266,"is_theoretical":true,"updated_at":"2021-11-28T01:37:53.269000Z","spacegroup":1},{"id":"mp-758915","created_at":"2022-09-04T14:47:00.772768Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n-5.227694 0.000000 0.000000\n2.562546 4.580368 0.000000\n-0.089275 -0.224318 -20.228672\nLi Fe B O\n3 8 8 24\ndirect\n0.674599 0.651170 0.326456 Li\n0.648105 0.673832 0.583632 Li\n0.332848 0.343154 0.451364 Li\n0.000586 0.673501 0.188108 Fe\n0.012581 0.673538 0.691773 Fe\n0.327311 0.000231 0.064067 Fe\n0.316170 0.004199 0.566126 Fe\n0.678133 0.007076 0.439166 Fe\n0.674318 0.003318 0.939245 Fe\n0.009339 0.319378 0.309451 Fe\n0.999461 0.328058 0.816129 Fe\n0.001108 0.343332 0.062907 B\n0.995575 0.334078 0.565537 B\n0.663166 0.002901 0.186302 B\n0.666120 0.006328 0.690072 B\n0.344953 0.997975 0.312607 B\n0.339589 0.000276 0.814836 B\n0.004637 0.668890 0.438877 B\n0.002133 0.662797 0.938750 B\n0.887808 0.273204 0.206829 O\n0.883931 0.269036 0.717125 O\n0.732686 0.126366 0.036489 O\n0.010818 0.601655 0.085282 O\n0.743256 0.075706 0.549827 O\n0.972932 0.575933 0.589895 O\n0.400886 0.987053 0.163988 O\n0.735967 0.658940 0.432832 O\n0.401975 0.985354 0.670922 O\n0.769535 0.705213 0.935529 O\n0.692849 0.760356 0.188150 O\n0.713368 0.774544 0.680746 O\n0.351691 0.261367 0.317143 O\n0.301759 0.236027 0.815820 O\n0.233898 0.300193 0.065154 O\n0.589286 0.975184 0.330815 O\n0.269770 0.360179 0.557759 O\n0.596694 0.009537 0.837605 O\n0.023398 0.420335 0.422579 O\n0.989442 0.403578 0.915034 O\n0.252226 0.923666 0.460701 O\n0.269932 0.876538 0.964827 O\n0.087322 0.746469 0.290121 O\n0.117616 0.730563 0.790122 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2158829858453353,"density_atomic":0.08877497377568913,"volume":484.37074291511055,"volume_molar":6.783601846187369,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.36063772,"energy_per_atom":-7.961875295813954,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.82463772,"band_gap":1.4018000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.0191694,"is_theoretical":true,"updated_at":"2021-11-28T01:37:48.376000Z","spacegroup":1},{"id":"mp-764874","created_at":"2022-09-04T14:47:40.395617Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n-5.304334 0.000000 0.000000\n-0.096298 -9.031378 0.000000\n2.486018 4.453917 10.174366\nLi Fe B O\n3 8 8 24\ndirect\n0.165200 0.838258 0.652900 Li\n0.602414 0.950310 0.913815 Li\n0.673906 0.335482 0.654579 Li\n0.403121 0.731165 0.133627 Fe\n0.091450 0.774544 0.886388 Fe\n0.852519 0.855220 0.377539 Fe\n0.650373 0.649445 0.623834 Fe\n0.349292 0.348784 0.367008 Fe\n0.149142 0.158025 0.625917 Fe\n0.910779 0.226013 0.132011 Fe\n0.594942 0.275070 0.879992 Fe\n0.655059 0.983952 0.631916 B\n0.885553 0.892009 0.127316 B\n0.140360 0.488973 0.624563 B\n0.403218 0.397311 0.127573 B\n0.860450 0.522716 0.384194 B\n0.591041 0.606079 0.872191 B\n0.355095 0.019482 0.380510 B\n0.104969 0.103375 0.870626 B\n0.119312 0.851673 0.091558 O\n0.476566 0.875614 0.339338 O\n0.220335 0.962954 0.860093 O\n0.527187 0.855009 0.638259 O\n0.882223 0.961976 0.586785 O\n0.781914 0.797379 0.180984 O\n0.299572 0.538416 0.139310 O\n0.033964 0.640015 0.660128 O\n0.691119 0.710361 0.823702 O\n0.632855 0.521786 0.430263 O\n0.959512 0.661579 0.387293 O\n0.402012 0.658941 0.940636 O\n0.612826 0.348159 0.068965 O\n0.380636 0.477232 0.588005 O\n0.305292 0.295827 0.176865 O\n0.979868 0.380103 0.342438 O\n0.681945 0.456878 0.845578 O\n0.221595 0.213859 0.837109 O\n0.128835 0.017384 0.422538 O\n0.459527 0.159673 0.386142 O\n0.014969 0.362252 0.627482 O\n0.758894 0.011426 0.101824 O\n0.557190 0.135249 0.671639 O\n0.868261 0.131424 0.907972 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.195846431830568,"density_atomic":0.08822186143763289,"volume":487.40753481378533,"volume_molar":6.826132051472594,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.40416837,"energy_per_atom":-7.962887636511628,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.86816837,"band_gap":1.566,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.974967,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.269000Z","spacegroup":1},{"id":"mp-759902","created_at":"2022-09-04T14:43:52.215660Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.235609 0.000000 0.000000\n-2.567658 4.593862 0.000000\n-0.184623 -0.129367 20.136865\nLi Fe B O\n3 8 8 24\ndirect\n0.674495 0.649782 0.328855 Li\n0.643773 0.670178 0.079815 Li\n0.340650 0.349891 0.456696 Li\n0.013197 0.673719 0.188885 Fe\n0.997811 0.671961 0.690566 Fe\n0.314723 0.011419 0.061473 Fe\n0.327036 0.995571 0.567067 Fe\n0.680160 0.006371 0.440232 Fe\n0.674440 0.001523 0.939072 Fe\n0.009940 0.320376 0.312085 Fe\n0.000648 0.327295 0.814456 Fe\n0.996951 0.343286 0.063455 B\n0.999212 0.337222 0.565391 B\n0.669053 0.008321 0.186612 B\n0.659157 0.002988 0.689285 B\n0.343082 0.998134 0.313525 B\n0.342195 0.998947 0.813270 B\n0.003164 0.664641 0.440723 B\n0.002806 0.662652 0.936924 B\n0.892469 0.273132 0.209541 O\n0.877679 0.269794 0.714565 O\n0.743643 0.090010 0.041045 O\n0.969299 0.583452 0.085212 O\n0.727987 0.111277 0.546112 O\n0.015872 0.596058 0.588686 O\n0.399826 0.981806 0.168765 O\n0.739587 0.660902 0.432334 O\n0.397146 0.990871 0.667262 O\n0.761273 0.696061 0.938281 O\n0.710301 0.771311 0.179003 O\n0.700755 0.769371 0.685942 O\n0.353132 0.262230 0.317976 O\n0.298999 0.231752 0.814997 O\n0.261882 0.355828 0.064177 O\n0.587902 0.973052 0.331538 O\n0.246210 0.311055 0.558823 O\n0.602083 0.011039 0.835481 O\n0.026349 0.420461 0.424049 O\n0.984803 0.400814 0.914478 O\n0.252520 0.915970 0.464995 O\n0.272581 0.883360 0.958812 O\n0.081551 0.746943 0.292484 O\n0.123441 0.730204 0.787756 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.216185813700089,"density_atomic":0.08878333338795816,"volume":484.32513580113186,"volume_molar":6.78296311953612,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.35270987,"energy_per_atom":-7.961690927209303,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.81670987,"band_gap":0.0165999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9999993,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.558000Z","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-1177681","created_at":"2022-09-04T14:40:39.902605Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n5.225949 0.000000 0.000000\n-0.099101 9.073919 0.000000\n-2.602074 -4.435152 10.161842\nLi Fe B O\n3 8 8 24\ndirect\n0.384871 0.726611 0.097079 Li\n0.826823 0.492640 0.339853 Li\n0.609351 0.248360 0.836397 Li\n0.642957 0.644378 0.621181 Fe\n0.384031 0.074220 0.123583 Fe\n0.857980 0.850414 0.370145 Fe\n0.122128 0.447984 0.865329 Fe\n0.884637 0.550493 0.113254 Fe\n0.135307 0.149532 0.618676 Fe\n0.335365 0.340180 0.372566 Fe\n0.607527 0.925650 0.872504 Fe\n0.648591 0.316869 0.627157 B\n0.388401 0.400352 0.126734 B\n0.835288 0.186642 0.370522 B\n0.108323 0.103285 0.870042 B\n0.146806 0.811651 0.621644 B\n0.889808 0.893513 0.121770 B\n0.357913 0.684724 0.373812 B\n0.607433 0.605826 0.874245 B\n0.149857 0.905650 0.122096 O\n0.262390 0.285016 0.155361 O\n0.242474 0.502884 0.079894 O\n0.497980 0.798849 0.356384 O\n0.491906 0.577380 0.420614 O\n0.563703 0.151021 0.314127 O\n0.922790 0.324789 0.658785 O\n0.656606 0.412237 0.148956 O\n0.788256 0.791811 0.170781 O\n0.035851 0.921553 0.570673 O\n0.992981 0.691870 0.621777 O\n0.708205 0.978154 0.068669 O\n0.285443 0.016124 0.922171 O\n0.967954 0.319405 0.378618 O\n0.966958 0.079250 0.420297 O\n0.214666 0.205111 0.823181 O\n0.367983 0.633006 0.900890 O\n0.079874 0.668896 0.343370 O\n0.423655 0.829064 0.671727 O\n0.528139 0.423691 0.579117 O\n0.500788 0.205092 0.645098 O\n0.749035 0.487150 0.899590 O\n0.720854 0.706903 0.825759 O\n0.843148 0.086584 0.864166 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.2325528762434708,"density_atomic":0.08923514881609068,"volume":481.87290065062723,"volume_molar":6.748619618947844,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.42645964,"energy_per_atom":-7.963406038139535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.89045964,"band_gap":1.6148999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.9754719,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.664000Z","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},{"id":"mp-764524","created_at":"2022-09-04T14:39:47.808693Z","structure_string":"Li3 Fe8 B8 O24\n1.0\n-5.233456 0.000000 0.000000\n-0.093405 -9.166663 0.000000\n2.606457 4.404085 10.109838\nLi Fe B O\n3 8 8 24\ndirect\n0.290264 0.275781 0.914134 Li\n0.485651 0.504460 0.655272 Li\n0.976352 0.000179 0.649527 Li\n0.021531 0.349102 0.370391 Fe\n0.258203 0.931027 0.882352 Fe\n0.465024 0.156070 0.623735 Fe\n0.243721 0.566527 0.139754 Fe\n0.771074 0.442790 0.886324 Fe\n0.520070 0.853813 0.374328 Fe\n0.975354 0.649138 0.627258 Fe\n0.737191 0.064197 0.124765 Fe\n0.031769 0.693164 0.387673 B\n0.256105 0.590763 0.865092 B\n0.477675 0.813442 0.625786 B\n0.238045 0.899624 0.133459 B\n0.527508 0.187398 0.377054 B\n0.768879 0.114084 0.877868 B\n0.970289 0.319418 0.631724 B\n0.727774 0.387052 0.120770 B\n0.018320 0.096506 0.857496 O\n0.110730 0.695322 0.820223 O\n0.144777 0.496512 0.914335 O\n0.098227 0.192221 0.636550 O\n0.071673 0.424174 0.584255 O\n0.230387 0.830378 0.659190 O\n0.266381 0.680186 0.349350 O\n0.509876 0.574052 0.852582 O\n0.616946 0.226294 0.841615 O\n0.462800 0.074933 0.421771 O\n0.376077 0.310462 0.383575 O\n0.651664 0.026857 0.929958 O\n0.369444 0.986641 0.084705 O\n0.615968 0.686037 0.630524 O\n0.579247 0.926013 0.590992 O\n0.381561 0.795212 0.180312 O\n0.464643 0.380095 0.103295 O\n0.738543 0.353859 0.674233 O\n0.759682 0.175263 0.332471 O\n0.960328 0.575800 0.430181 O\n0.874720 0.811705 0.389827 O\n0.858912 0.484010 0.078564 O\n0.884091 0.290980 0.175683 O\n0.979495 0.916801 0.132444 O\n","nsites":43,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.211693566528414,"density_atomic":0.08865932417287954,"volume":485.0025691167347,"volume_molar":6.792450558564199,"formula_full":"Li3 Fe8 B8 O24","formula_reduced":"Li3Fe8(BO3)8","formula_anonymous":"A3B8C8D24","energy":-342.30398137,"energy_per_atom":-7.96055770627907,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.76798137,"band_gap":1.3969999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.0028837,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.993000Z","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}]}