{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=12160","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume_molar&page=12158","results":[{"id":"mp-1180084","created_at":"2022-09-04T14:44:30.268457Z","structure_string":"Ni1 H2 O2\n1.0\n1.586721 2.726516 0.000000\n-1.586721 2.726516 0.000000\n0.000000 0.305629 4.608637\nNi H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.692452 0.692452 0.568015 H\n0.307548 0.307548 0.431985 H\n0.680670 0.680670 0.778812 O\n0.319330 0.319330 0.221188 O\n","nsites":5,"nelements":3,"elements":["Ni","H","O"],"chemical_system":"H-Ni-O","density":3.8606067552501853,"density_atomic":0.1253888404719302,"volume":39.87595691276299,"volume_molar":4.802772509367075,"formula_full":"Ni1 H2 O2","formula_reduced":"Ni(HO)2","formula_anonymous":"AB2C2","energy":-28.66049806,"energy_per_atom":-5.732099612,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.74549806,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0002695,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.240000Z","spacegroup":12},{"id":"mp-1188147","created_at":"2022-09-04T14:42:27.861586Z","structure_string":"B16 Os4\n1.0\n2.671199 -4.626652 0.000000\n2.671199 4.626652 0.000000\n0.000000 0.000000 6.451084\nB Os\n16 4\ndirect\n0.334637 0.334637 0.500000 B\n0.665363 0.000000 0.500000 B\n0.000000 0.665363 0.500000 B\n0.665363 0.665363 0.500000 B\n0.000000 0.334637 0.500000 B\n0.334637 0.000000 0.500000 B\n0.665363 0.665363 0.000000 B\n0.334637 0.000000 0.000000 B\n0.000000 0.334637 0.000000 B\n0.334637 0.334637 0.000000 B\n0.000000 0.665363 0.000000 B\n0.665363 0.000000 0.000000 B\n0.333333 0.666667 0.883706 B\n0.666667 0.333333 0.116294 B\n0.666667 0.333333 0.383706 B\n0.333333 0.666667 0.616294 B\n0.333333 0.666667 0.250000 Os\n0.666667 0.333333 0.750000 Os\n0.000000 0.000000 0.250000 Os\n0.000000 0.000000 0.750000 Os\n","nsites":20,"nelements":2,"elements":["B","Os"],"chemical_system":"B-Os","density":9.725497846514457,"density_atomic":0.12542792133819375,"volume":159.4541294045176,"volume_molar":4.8012760601863,"formula_full":"B16 Os4","formula_reduced":"B4Os","formula_anonymous":"AB4","energy":-138.68149163,"energy_per_atom":-6.934074581500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.68149163,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000214,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.637000Z","spacegroup":194},{"id":"mp-1222458","created_at":"2022-09-04T14:39:12.376503Z","structure_string":"Li2 B24 P2 C2\n1.0\n-2.886409 4.070458 5.088052\n2.886409 -4.070458 5.088052\n2.886409 4.070458 -5.088052\nLi B P C\n2 24 2 2\ndirect\n0.065445 0.748252 0.817194 Li\n0.931058 0.248252 0.182806 Li\n0.866103 0.832362 0.533741 B\n0.298621 0.332362 0.466259 B\n0.143182 0.166314 0.476867 B\n0.689447 0.666314 0.523133 B\n0.269591 0.089711 0.679880 B\n0.409831 0.589711 0.320120 B\n0.752226 0.911540 0.340686 B\n0.570853 0.411540 0.659314 B\n0.105204 0.780117 0.508448 B\n0.271669 0.596756 0.491552 B\n0.271669 0.280117 0.174914 B\n0.105204 0.096756 0.825086 B\n0.901301 0.222832 0.502847 B\n0.719985 0.398454 0.497153 B\n0.719985 0.722832 0.821531 B\n0.901301 0.898454 0.178469 B\n0.134023 0.824774 0.295522 B\n0.529252 0.838501 0.704478 B\n0.529252 0.324774 0.190751 B\n0.134023 0.338501 0.809249 B\n0.882624 0.162337 0.704922 B\n0.457415 0.177702 0.295078 B\n0.457415 0.662337 0.779713 B\n0.882624 0.677702 0.220287 B\n0.458507 0.828337 0.130170 P\n0.698167 0.328337 0.869830 P\n0.517525 0.144941 0.872584 C\n0.272357 0.644941 0.127416 C\n","nsites":30,"nelements":4,"elements":["Li","B","P","C"],"chemical_system":"B-C-Li-P","density":2.4952362600467897,"density_atomic":0.12546095073399144,"volume":239.11822622488728,"volume_molar":4.800012055359315,"formula_full":"Li2 B24 P2 C2","formula_reduced":"LiB12PC","formula_anonymous":"ABCD12","energy":-201.59113675,"energy_per_atom":-6.7197045583333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-201.59113675,"band_gap":2.4016,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005849,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.964000Z","spacegroup":46},{"id":"mp-1183221","created_at":"2022-09-04T14:44:02.188212Z","structure_string":"B1 Ir1 O3\n1.0\n3.415662 0.000000 0.000000\n0.000000 3.415662 0.000000\n0.000000 0.000000 3.415662\nB Ir O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["B","Ir","O"],"chemical_system":"B-Ir-O","density":10.460284216710495,"density_atomic":0.1254715722191669,"volume":39.84966404394991,"volume_molar":4.799605722227543,"formula_full":"B1 Ir1 O3","formula_reduced":"BIrO3","formula_anonymous":"ABC3","energy":-31.82924774,"energy_per_atom":-6.365849548,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.76824774,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0074702,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.268000Z","spacegroup":221},{"id":"mp-1190213","created_at":"2022-09-04T14:42:10.346216Z","structure_string":"Re4 B16\n1.0\n2.727174 -4.723604 0.000000\n2.727174 4.723604 0.000000\n0.000000 0.000000 6.185786\nRe B\n4 16\ndirect\n0.333333 0.666667 0.250000 Re\n0.666667 0.333333 0.750000 Re\n0.000000 0.000000 0.250000 Re\n0.000000 0.000000 0.750000 Re\n0.337583 0.337583 0.500000 B\n0.662417 0.000000 0.500000 B\n0.000000 0.662417 0.500000 B\n0.662417 0.662417 0.500000 B\n0.000000 0.337583 0.500000 B\n0.337583 0.000000 0.500000 B\n0.662417 0.662417 0.000000 B\n0.337583 0.000000 0.000000 B\n0.000000 0.337583 0.000000 B\n0.337583 0.337583 0.000000 B\n0.000000 0.662417 0.000000 B\n0.662417 0.000000 0.000000 B\n0.333333 0.666667 0.886842 B\n0.666667 0.333333 0.113158 B\n0.666667 0.333333 0.386842 B\n0.333333 0.666667 0.613158 B\n","nsites":20,"nelements":2,"elements":["Re","B"],"chemical_system":"B-Re","density":9.562860645683637,"density_atomic":0.1254927912636529,"volume":159.37170413224126,"volume_molar":4.798794177227154,"formula_full":"Re4 B16","formula_reduced":"ReB4","formula_anonymous":"AB4","energy":-145.49065298,"energy_per_atom":-7.274532648999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-145.49065298,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.15e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.151000Z","spacegroup":194},{"id":"mp-20787","created_at":"2022-09-04T14:47:26.564278Z","structure_string":"Fe4 B4\n1.0\n2.948612 0.000000 0.000000\n0.000000 3.997554 0.000000\n0.000000 0.000000 5.408195\nFe B\n4 4\ndirect\n0.250000 0.379927 0.678145 Fe\n0.750000 0.620073 0.321855 Fe\n0.750000 0.879927 0.821855 Fe\n0.250000 0.120073 0.178145 Fe\n0.250000 0.881326 0.534234 B\n0.750000 0.118674 0.465766 B\n0.750000 0.381326 0.965766 B\n0.250000 0.618674 0.034234 B\n","nsites":8,"nelements":2,"elements":["Fe","B"],"chemical_system":"B-Fe","density":6.945188333912371,"density_atomic":0.12549478446346607,"volume":63.74766914978011,"volume_molar":4.798717959273567,"formula_full":"Fe4 B4","formula_reduced":"FeB","formula_anonymous":"AB","energy":-63.57004121,"energy_per_atom":-7.94625515125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.57004121,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.5245552,"is_theoretical":false,"updated_at":"2021-11-28T01:38:06.720000Z","spacegroup":62},{"id":"mp-1188177","created_at":"2022-09-04T14:44:56.655303Z","structure_string":"H16\n1.0\n4.697337 0.000000 0.000000\n0.000000 4.955131 0.000000\n0.000000 0.000000 5.477365\nH\n16\ndirect\n0.515550 0.376635 0.750000 H\n0.984450 0.876635 0.750000 H\n0.484450 0.623365 0.250000 H\n0.015550 0.123365 0.250000 H\n0.457217 0.516211 0.750000 H\n0.042783 0.016211 0.750000 H\n0.542783 0.483789 0.250000 H\n0.957217 0.983789 0.250000 H\n0.946816 0.471238 0.956469 H\n0.553184 0.971238 0.543531 H\n0.053184 0.528762 0.456469 H\n0.446816 0.028762 0.043531 H\n0.053184 0.528762 0.043531 H\n0.446816 0.028762 0.456469 H\n0.946816 0.471238 0.543531 H\n0.553184 0.971238 0.956469 H\n","nsites":16,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.21005122513482502,"density_atomic":0.12549933974338837,"volume":127.49071057039504,"volume_molar":4.798543779045867,"formula_full":"H16","formula_reduced":"H","formula_anonymous":"A","energy":-53.71851732,"energy_per_atom":-3.3574073325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.71851732,"band_gap":7.3865,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.948000Z","spacegroup":62},{"id":"mp-569726","created_at":"2022-09-04T14:46:05.035064Z","structure_string":"Ho2 Al2 B28\n1.0\n-2.953999 4.118220 5.239671\n2.953999 -4.118220 5.239671\n2.953999 4.118220 -5.239671\nHo Al B\n2 2 28\ndirect\n0.400479 0.750000 0.650479 Ho\n0.599521 0.250000 0.349521 Ho\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.983684 0.357398 0.626286 B\n0.627885 0.332001 0.800452 B\n0.798448 0.832885 0.965563 B\n0.632677 0.667115 0.965563 B\n0.201552 0.167115 0.034437 B\n0.776781 0.776315 0.675065 B\n0.968451 0.672567 0.800452 B\n0.016316 0.642602 0.373714 B\n0.968451 0.167999 0.295884 B\n0.031549 0.832001 0.704116 B\n0.367323 0.332885 0.034437 B\n0.076528 0.909854 0.166674 B\n0.627885 0.827433 0.295884 B\n0.398750 0.723685 0.000466 B\n0.243180 0.409854 0.833326 B\n0.223219 0.223685 0.324935 B\n0.231111 0.857398 0.373714 B\n0.923472 0.090146 0.833326 B\n0.398750 0.398284 0.675065 B\n0.223219 0.898284 0.999534 B\n0.776781 0.101716 0.000466 B\n0.601250 0.276315 0.999534 B\n0.601250 0.601716 0.324935 B\n0.031549 0.327433 0.199548 B\n0.756820 0.590146 0.166674 B\n0.768889 0.142602 0.626286 B\n0.372115 0.172567 0.704116 B\n0.372115 0.667999 0.199548 B\n","nsites":32,"nelements":3,"elements":["Ho","Al","B"],"chemical_system":"Al-B-Ho","density":4.47121760345398,"density_atomic":0.12550646030788165,"volume":254.9669548603343,"volume_molar":4.798271535367185,"formula_full":"Ho2 Al2 B28","formula_reduced":"HoAlB14","formula_anonymous":"ABC14","energy":-208.88869527,"energy_per_atom":-6.5277717271875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.88869527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.92e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:21.872000Z","spacegroup":74},{"id":"mp-1201609","created_at":"2022-09-04T14:42:49.478235Z","structure_string":"H40 C4 N8 O20\n1.0\n-7.587989 0.000000 1.003762\n-0.068245 0.000000 -7.664303\n0.000000 -9.852576 0.000000\nH C N O\n40 4 8 20\ndirect\n0.404199 0.696968 0.011389 H\n0.595801 0.303032 0.988611 H\n0.095801 0.803032 0.011389 H\n0.904199 0.196968 0.988611 H\n0.308354 0.097439 0.501219 H\n0.691646 0.902561 0.498781 H\n0.191646 0.402561 0.501219 H\n0.808354 0.597439 0.498781 H\n0.581947 0.066337 0.704434 H\n0.418053 0.933663 0.295566 H\n0.918053 0.433663 0.704434 H\n0.081947 0.566337 0.295566 H\n0.397580 0.918599 0.712530 H\n0.602420 0.081401 0.287470 H\n0.102420 0.581401 0.712530 H\n0.897580 0.418599 0.287470 H\n0.413917 0.099324 0.813169 H\n0.586083 0.900676 0.186831 H\n0.086083 0.400676 0.813169 H\n0.913917 0.599324 0.186831 H\n0.542680 0.934427 0.843111 H\n0.457320 0.065573 0.156889 H\n0.957320 0.565573 0.843111 H\n0.042680 0.434427 0.156889 H\n0.915791 0.082359 0.328249 H\n0.084209 0.917641 0.671751 H\n0.584209 0.417641 0.328249 H\n0.415791 0.582359 0.671751 H\n0.057131 0.091767 0.196519 H\n0.942869 0.908233 0.803481 H\n0.442869 0.408233 0.196519 H\n0.557131 0.591767 0.803481 H\n0.085736 0.956505 0.332662 H\n0.914264 0.043495 0.667338 H\n0.414264 0.543495 0.332662 H\n0.585736 0.456505 0.667338 H\n0.913051 0.907011 0.223437 H\n0.086949 0.092989 0.776563 H\n0.586949 0.592989 0.223437 H\n0.413051 0.407011 0.776563 H\n0.250000 0.750000 0.496565 C\n0.750000 0.250000 0.503435 C\n0.250000 0.250000 0.998078 C\n0.750000 0.750000 0.001922 C\n0.484770 0.005680 0.769697 N\n0.515230 0.994320 0.230303 N\n0.015230 0.494320 0.769697 N\n0.984770 0.505680 0.230303 N\n0.993941 0.008553 0.271248 N\n0.006059 0.991447 0.728752 N\n0.506059 0.491447 0.271248 N\n0.493941 0.508553 0.728752 N\n0.284702 0.664297 0.054230 O\n0.715298 0.335703 0.945770 O\n0.215298 0.835703 0.054230 O\n0.784702 0.164297 0.945770 O\n0.337873 0.219550 0.539852 O\n0.662127 0.780450 0.460148 O\n0.162127 0.280450 0.539852 O\n0.837873 0.719550 0.460148 O\n0.250000 0.750000 0.629099 O\n0.750000 0.250000 0.370901 O\n0.263877 0.898010 0.430712 O\n0.736123 0.101990 0.569288 O\n0.236123 0.601990 0.430712 O\n0.763877 0.398010 0.569288 O\n0.250000 0.250000 0.865429 O\n0.750000 0.750000 0.134571 O\n0.397917 0.258889 0.063873 O\n0.602083 0.741111 0.936127 O\n0.102083 0.241111 0.063873 O\n0.897917 0.758889 0.936127 O\n","nsites":72,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.5063561167389654,"density_atomic":0.12550819890071996,"volume":573.6677016371955,"volume_molar":4.798205067673435,"formula_full":"H40 C4 N8 O20","formula_reduced":"H10CN2O5","formula_anonymous":"AB2C5D10","energy":-407.09951115,"energy_per_atom":-5.654159877083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-390.47151115,"band_gap":4.1304,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030944,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.877000Z","spacegroup":13},{"id":"mp-554840","created_at":"2022-09-04T14:42:25.851671Z","structure_string":"H26 C8 N2 F4\n1.0\n5.442152 0.000000 0.000000\n0.000000 6.634557 0.000000\n0.000000 0.000000 8.825613\nH C N F\n26 8 2 4\ndirect\n0.990664 0.500000 0.762032 H\n0.245298 0.863676 0.637629 H\n0.245298 0.136324 0.362371 H\n0.933266 0.316571 0.500000 H\n0.300868 0.317733 0.102166 H\n0.066734 0.183429 0.000000 H\n0.699132 0.182267 0.602166 H\n0.009336 0.000000 0.262032 H\n0.933266 0.683429 0.500000 H\n0.699132 0.817733 0.397834 H\n0.699132 0.817733 0.602166 H\n0.357738 0.500000 0.500000 H\n0.300868 0.317733 0.897834 H\n0.300868 0.682267 0.102166 H\n0.009336 0.000000 0.737968 H\n0.066734 0.816571 0.000000 H\n0.699132 0.182267 0.397834 H\n0.990664 0.500000 0.237968 H\n0.754702 0.363676 0.862371 H\n0.300868 0.682267 0.897834 H\n0.245298 0.136324 0.637629 H\n0.754702 0.363676 0.137629 H\n0.245298 0.863676 0.362371 H\n0.754702 0.636324 0.862371 H\n0.642262 0.000000 0.000000 H\n0.754702 0.636324 0.137629 H\n0.868468 0.500000 0.860906 C\n0.131532 0.000000 0.639094 C\n0.186905 0.684170 0.000000 C\n0.186905 0.315830 0.000000 C\n0.813095 0.815830 0.500000 C\n0.868468 0.500000 0.139094 C\n0.813095 0.184170 0.500000 C\n0.131532 0.000000 0.360906 C\n0.972836 0.000000 0.500000 N\n0.027164 0.500000 0.000000 N\n0.353599 0.500000 0.369310 F\n0.646401 0.000000 0.869310 F\n0.353599 0.500000 0.630690 F\n0.646401 0.000000 0.130690 F\n","nsites":40,"nelements":4,"elements":["H","C","N","F"],"chemical_system":"C-F-H-N","density":1.1792458501895942,"density_atomic":0.12552566022833597,"volume":318.65994512387726,"volume_molar":4.797537610274661,"formula_full":"H26 C8 N2 F4","formula_reduced":"H13C4NF2","formula_anonymous":"AB2C4D13","energy":-206.96593602,"energy_per_atom":-5.1741484005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.39593602,"band_gap":6.5368,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002207,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.277000Z","spacegroup":59},{"id":"mp-1226092","created_at":"2022-09-04T14:40:24.342054Z","structure_string":"Cr2 Ni3 B6\n1.0\n1.479302 -10.064490 0.000000\n1.479302 10.064490 0.000000\n0.000000 0.000000 2.942057\nCr Ni B\n2 3 6\ndirect\n0.000526 0.999474 0.000000 Cr\n0.384113 0.615887 0.000000 Cr\n0.618092 0.381908 0.000000 Ni\n0.194571 0.805429 0.500000 Ni\n0.801836 0.198164 0.500000 Ni\n0.457909 0.542091 0.500000 B\n0.543715 0.456285 0.500000 B\n0.275315 0.724685 0.000000 B\n0.724690 0.275310 0.000000 B\n0.089099 0.910901 0.500000 B\n0.910134 0.089866 0.500000 B\n","nsites":11,"nelements":3,"elements":["Cr","Ni","B"],"chemical_system":"B-Cr-Ni","density":6.538241331388351,"density_atomic":0.12556337768565365,"volume":87.6051616542075,"volume_molar":4.79609649803811,"formula_full":"Cr2 Ni3 B6","formula_reduced":"Cr2(NiB2)3","formula_anonymous":"A2B3C6","energy":-80.29975231,"energy_per_atom":-7.2999774827272725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.29975231,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028106,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.250000Z","spacegroup":38},{"id":"mp-1236349","created_at":"2022-09-04T14:43:01.457443Z","structure_string":"Li1 Mn2 B8 O14\n1.0\n5.253292 0.000000 0.000000\n0.000000 5.799932 -2.905528\n0.000000 0.076671 6.486556\nLi Mn B O\n1 2 8 14\ndirect\n0.250000 0.545652 0.545652 Li\n0.750000 0.795931 0.795931 Mn\n0.250000 0.208159 0.208159 Mn\n0.750000 0.330758 0.092546 B\n0.250000 0.919636 0.673215 B\n0.996348 0.706524 0.288397 B\n0.996348 0.288397 0.706524 B\n0.503652 0.288397 0.706524 B\n0.750000 0.092546 0.330758 B\n0.250000 0.673215 0.919636 B\n0.503652 0.706524 0.288397 B\n0.250000 0.885189 0.885189 O\n0.750000 0.109918 0.109918 O\n0.750000 0.241343 0.814236 O\n0.250000 0.182599 0.756207 O\n0.525580 0.188147 0.461814 O\n0.473819 0.538134 0.804915 O\n0.974420 0.188147 0.461814 O\n0.750000 0.814236 0.241343 O\n0.525580 0.461814 0.188147 O\n0.473819 0.804915 0.538134 O\n0.974420 0.461814 0.188147 O\n0.250000 0.756207 0.182599 O\n0.026181 0.538134 0.804915 O\n0.026181 0.804915 0.538134 O\n","nsites":25,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.568995453668417,"density_atomic":0.12574982151873668,"volume":198.8074392318323,"volume_molar":4.788985532756961,"formula_full":"Li1 Mn2 B8 O14","formula_reduced":"LiMn2(B4O7)2","formula_anonymous":"AB2C8D14","energy":-205.03563163,"energy_per_atom":-8.201425265200001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.08163163,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0002086,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.355000Z","spacegroup":38}]}