{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=10213","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=10211","results":[{"id":"mp-1205529","created_at":"2022-09-04T14:46:34.059200Z","structure_string":"Tm4 Ni2 C5\n1.0\n3.552635 0.000000 0.000000\n0.000000 3.665221 0.000000\n0.000000 0.000000 11.469722\nTm Ni C\n4 2 5\ndirect\n0.500000 0.503085 0.202673 Tm\n0.500000 0.503085 0.797327 Tm\n0.500000 0.208384 0.500000 Tm\n0.000000 0.999742 0.000000 Tm\n0.000000 0.699044 0.384767 Ni\n0.000000 0.699044 0.615233 Ni\n0.000000 0.000013 0.228132 C\n0.000000 0.000013 0.771868 C\n0.000000 0.198457 0.331669 C\n0.000000 0.198457 0.668331 C\n0.500000 0.492175 0.000000 C\n","nsites":11,"nelements":3,"elements":["Tm","Ni","C"],"chemical_system":"C-Ni-Tm","density":9.486033628526922,"density_atomic":0.0736527619144914,"volume":149.3494570206432,"volume_molar":8.176395023708034,"formula_full":"Tm4 Ni2 C5","formula_reduced":"Tm4Ni2C5","formula_anonymous":"A2B4C5","energy":-80.06114037,"energy_per_atom":-7.278285488181819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.06114037,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000155,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.231000Z","spacegroup":25},{"id":"mp-1079107","created_at":"2022-09-04T14:46:34.075267Z","structure_string":"Co1 N6 Cl2\n1.0\n0.000000 3.904848 3.904848\n3.904848 0.000000 3.904848\n3.904848 3.904848 0.000000\nCo N Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.767398 0.767398 0.232602 N\n0.232602 0.767398 0.232602 N\n0.767398 0.232602 0.232602 N\n0.232602 0.232602 0.767398 N\n0.767398 0.232602 0.767398 N\n0.232602 0.767398 0.767398 N\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n","nsites":9,"nelements":3,"elements":["Co","N","Cl"],"chemical_system":"Cl-Co-N","density":2.9824670142417298,"density_atomic":0.07557882123345615,"volume":119.08097868051969,"volume_molar":7.968026838362762,"formula_full":"Co1 N6 Cl2","formula_reduced":"Co(N3Cl)2","formula_anonymous":"AB2C6","energy":-39.43683512,"energy_per_atom":-4.381870568888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.04283512,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9821823,"is_theoretical":false,"updated_at":"2021-11-28T01:37:33.095000Z","spacegroup":225},{"id":"mp-23973","created_at":"2022-09-04T14:46:34.091692Z","structure_string":"K4 Mn4 P4 H8 O20\n1.0\n-4.928673 5.757318 0.003044\n-4.926133 -5.755147 0.001200\n-4.931058 0.002443 8.494470\nK Mn P H O\n4 4 4 8 20\ndirect\n0.205256 0.705292 0.464620 K\n0.705258 0.205309 0.464615 K\n0.169863 0.169903 0.535700 K\n0.669862 0.669903 0.535713 K\n0.481745 0.981450 0.019069 Mn\n0.001083 0.000993 0.980721 Mn\n0.981657 0.481423 0.019073 Mn\n0.501018 0.500992 0.980643 Mn\n0.316498 0.816524 0.782737 P\n0.816477 0.316528 0.782726 P\n0.099335 0.099308 0.217200 P\n0.599239 0.599333 0.217216 P\n0.679625 0.043252 0.201899 H\n0.179601 0.543257 0.201891 H\n0.245365 0.381789 0.798363 H\n0.745327 0.881763 0.798384 H\n0.543384 0.179709 0.201901 H\n0.043365 0.679687 0.201882 H\n0.881618 0.745236 0.798387 H\n0.381640 0.245239 0.798379 H\n0.545075 0.045078 0.214832 O\n0.045037 0.545073 0.214813 O\n0.760683 0.760720 0.784579 O\n0.260698 0.260730 0.784571 O\n0.270939 0.271170 0.180790 O\n0.770951 0.771169 0.180693 O\n0.952308 0.452433 0.818153 O\n0.452370 0.952386 0.818180 O\n0.985157 0.985237 0.395309 O\n0.485171 0.485282 0.395336 O\n0.380299 0.880325 0.604588 O\n0.880297 0.380315 0.604581 O\n0.178001 0.960537 0.136347 O\n0.677718 0.460654 0.136256 O\n0.096843 0.813611 0.864381 O\n0.596831 0.313609 0.864377 O\n0.460520 0.677579 0.136262 O\n0.960548 0.177470 0.136246 O\n0.313674 0.596854 0.864302 O\n0.813663 0.096873 0.864284 O\n","nsites":40,"nelements":5,"elements":["K","Mn","P","H","O"],"chemical_system":"H-K-Mn-O-P","density":2.8543917869232116,"density_atomic":0.08303207957761641,"volume":481.7415172964439,"volume_molar":7.252788067737899,"formula_full":"K4 Mn4 P4 H8 O20","formula_reduced":"KMnPH2O5","formula_anonymous":"ABCD2E5","energy":-276.36344851,"energy_per_atom":-6.90908621275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-255.95144851,"band_gap":3.1331,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.131000Z","spacegroup":31},{"id":"mp-1202014","created_at":"2022-09-04T14:46:34.187801Z","structure_string":"V4 H64 C28 O24\n1.0\n0.000000 -7.539114 0.000000\n-12.044364 -3.769557 0.000000\n-3.841318 -3.769557 -14.412294\nV H C O\n4 64 28 24\ndirect\n0.034712 0.987354 0.181076 V\n0.203142 0.512646 0.318924 V\n0.965288 0.012646 0.818924 V\n0.796858 0.487354 0.681076 V\n0.484249 0.890112 0.100312 H\n0.474673 0.609888 0.399688 H\n0.515751 0.109888 0.899688 H\n0.525327 0.390112 0.600312 H\n0.520666 0.744339 0.165588 H\n0.430593 0.755661 0.334412 H\n0.479334 0.255661 0.834412 H\n0.569407 0.244339 0.665588 H\n0.431301 0.833687 0.966125 H\n0.231114 0.666313 0.533875 H\n0.568699 0.166313 0.033875 H\n0.768886 0.333687 0.466125 H\n0.657353 0.761344 0.996516 H\n0.415213 0.738656 0.503484 H\n0.342647 0.238656 0.003484 H\n0.584787 0.261344 0.496516 H\n0.473103 0.687305 0.031517 H\n0.191925 0.812695 0.468483 H\n0.526897 0.312695 0.968483 H\n0.808075 0.187305 0.531517 H\n0.394340 0.114042 0.214455 H\n0.722836 0.385958 0.285545 H\n0.605660 0.885958 0.785545 H\n0.277164 0.614042 0.714455 H\n0.158340 0.188765 0.198082 H\n0.545187 0.311235 0.301918 H\n0.841660 0.811235 0.801918 H\n0.454813 0.688765 0.698082 H\n0.267634 0.017292 0.380123 H\n0.665049 0.482708 0.119877 H\n0.732366 0.982708 0.619877 H\n0.334951 0.517292 0.880123 H\n0.213835 0.170121 0.357421 H\n0.741377 0.329879 0.142579 H\n0.786165 0.829879 0.642579 H\n0.258623 0.670121 0.857421 H\n0.036243 0.100810 0.362485 H\n0.499538 0.399190 0.137515 H\n0.963757 0.899190 0.637515 H\n0.500462 0.600810 0.862485 H\n0.673316 0.935351 0.280961 H\n0.889628 0.564649 0.219039 H\n0.326684 0.064649 0.719039 H\n0.110372 0.435351 0.780961 H\n0.753173 0.790783 0.344315 H\n0.888271 0.709217 0.155685 H\n0.246827 0.209217 0.655685 H\n0.111729 0.290783 0.844315 H\n0.747279 0.004816 0.402694 H\n0.154789 0.495184 0.097306 H\n0.252721 0.995184 0.597306 H\n0.845211 0.504816 0.902694 H\n0.581081 0.918429 0.450857 H\n0.950367 0.581571 0.049143 H\n0.418919 0.081571 0.549143 H\n0.049633 0.418429 0.950857 H\n0.819747 0.859292 0.467011 H\n0.146050 0.640708 0.032989 H\n0.180253 0.140708 0.532989 H\n0.853950 0.359292 0.967011 H\n0.208766 0.754731 0.168727 H\n0.132224 0.745269 0.331273 H\n0.791234 0.245269 0.831273 H\n0.867776 0.254731 0.668727 H\n0.073801 0.035367 0.980850 C\n0.090018 0.464633 0.519150 C\n0.926199 0.964633 0.019150 C\n0.909982 0.535367 0.480850 C\n0.448202 0.808657 0.110286 C\n0.367146 0.691343 0.389714 C\n0.551798 0.191343 0.889714 C\n0.632854 0.308657 0.610286 C\n0.505136 0.770286 0.021011 C\n0.296433 0.729714 0.478989 C\n0.494864 0.229714 0.978989 C\n0.703567 0.270286 0.521011 C\n0.245541 0.109736 0.237030 C\n0.592308 0.390264 0.262970 C\n0.754459 0.890264 0.762970 C\n0.407692 0.609736 0.737030 C\n0.187150 0.098333 0.340711 C\n0.626194 0.401667 0.159289 C\n0.812850 0.901667 0.659289 C\n0.373806 0.598333 0.840711 C\n0.770066 0.878803 0.328978 C\n0.977847 0.621197 0.171022 C\n0.229934 0.121197 0.671022 C\n0.022153 0.378803 0.828978 C\n0.728072 0.917650 0.417529 C\n0.063252 0.582350 0.082471 C\n0.271928 0.082350 0.582471 C\n0.936748 0.417650 0.917529 C\n0.246812 0.828711 0.142560 O\n0.218083 0.671289 0.357440 O\n0.753188 0.171289 0.857440 O\n0.781917 0.328711 0.642560 O\n0.229080 0.012845 0.213086 O\n0.455010 0.487155 0.286914 O\n0.770920 0.987155 0.786914 O\n0.544990 0.512845 0.713086 O\n0.961210 0.876759 0.283386 O\n0.121355 0.623241 0.216614 O\n0.038790 0.123241 0.716614 O\n0.878645 0.376759 0.783386 O\n0.867730 0.100511 0.193388 O\n0.161629 0.399489 0.306612 O\n0.132270 0.899489 0.806612 O\n0.838371 0.600511 0.693388 O\n0.137530 0.058068 0.040161 O\n0.235758 0.441932 0.459839 O\n0.862470 0.941932 0.959839 O\n0.764242 0.558068 0.540161 O\n0.881168 0.935223 0.106398 O\n0.922789 0.564777 0.393602 O\n0.118832 0.064777 0.893602 O\n0.077211 0.435223 0.606398 O\n","nsites":120,"nelements":4,"elements":["V","H","C","O"],"chemical_system":"C-H-O-V","density":1.2543379285981626,"density_atomic":0.09169464019927417,"volume":1308.6915411763607,"volume_molar":6.567603893654483,"formula_full":"V4 H64 C28 O24","formula_reduced":"VH16C7O6","formula_anonymous":"AB6C7D16","energy":-713.61206069,"energy_per_atom":-5.946767172416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-690.32406069,"band_gap":2.8978,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0923238,"is_theoretical":false,"updated_at":"2021-11-28T01:37:36.851000Z","spacegroup":15},{"id":"mp-1097454","created_at":"2022-09-04T14:46:34.239467Z","structure_string":"Sc1 Cd1 Pt2\n1.0\n-4.952810 5.651667 7.996022\n4.952810 -5.651667 7.996022\n4.952810 5.651667 -7.996022\nSc Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Cd\n0.000000 0.228676 0.228676 Pt\n0.000000 0.771324 0.771324 Pt\n","nsites":4,"nelements":3,"elements":["Sc","Cd","Pt"],"chemical_system":"Cd-Pt-Sc","density":1.01554391634599,"density_atomic":0.00446784179804826,"volume":895.286847834981,"volume_molar":134.78858545597393,"formula_full":"Sc1 Cd1 Pt2","formula_reduced":"ScCdPt2","formula_anonymous":"ABC2","energy":-14.94934729,"energy_per_atom":-3.7373368225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.94934729,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.76e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.376000Z","spacegroup":71},{"id":"mp-571655","created_at":"2022-09-04T14:46:34.314174Z","structure_string":"B12 C3\n1.0\n3.620267 -3.697510 0.000000\n3.620267 3.697510 0.000000\n-0.156134 0.000000 5.172382\nB C\n12 3\ndirect\n0.613649 0.613649 0.961468 B\n0.837394 0.837394 0.080031 B\n0.386351 0.386351 0.038532 B\n0.919969 0.162606 0.162606 B\n0.080031 0.837394 0.837394 B\n0.038532 0.386351 0.386351 B\n0.837394 0.080031 0.837394 B\n0.961468 0.613649 0.613649 B\n0.162606 0.919969 0.162606 B\n0.386351 0.038532 0.386351 B\n0.162606 0.162606 0.919969 B\n0.613649 0.961468 0.613649 B\n0.350541 0.350541 0.350541 C\n0.649459 0.649459 0.649459 C\n0.500000 0.500000 0.500000 C\n","nsites":15,"nelements":2,"elements":["B","C"],"chemical_system":"B-C","density":1.9877832711431882,"density_atomic":0.1083230083896424,"volume":138.47473609710295,"volume_molar":5.559429016537379,"formula_full":"B12 C3","formula_reduced":"B4C","formula_anonymous":"AB4","energy":-95.81646071,"energy_per_atom":-6.3877640473333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.81646071,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.97e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.667000Z","spacegroup":166},{"id":"mp-982635","created_at":"2022-09-04T14:46:34.042931Z","structure_string":"Tm12 Al8\n1.0\n8.120536 0.000000 0.000000\n0.000000 8.120536 0.000000\n0.000000 0.000000 7.497161\nTm Al\n12 8\ndirect\n0.500000 0.000000 0.250000 Tm\n0.000000 0.500000 0.250000 Tm\n0.000000 0.500000 0.750000 Tm\n0.500000 0.000000 0.750000 Tm\n0.349284 0.349284 0.000000 Tm\n0.650716 0.650716 0.000000 Tm\n0.150716 0.849284 0.500000 Tm\n0.849284 0.150716 0.500000 Tm\n0.796949 0.203051 0.000000 Tm\n0.203051 0.796949 0.000000 Tm\n0.703051 0.703051 0.500000 Tm\n0.296949 0.296949 0.500000 Tm\n0.119179 0.119179 0.196330 Al\n0.880821 0.880821 0.196330 Al\n0.380821 0.619179 0.303670 Al\n0.619179 0.380821 0.303670 Al\n0.880821 0.880821 0.803670 Al\n0.119179 0.119179 0.803670 Al\n0.380821 0.619179 0.696330 Al\n0.619179 0.380821 0.696330 Al\n","nsites":20,"nelements":2,"elements":["Tm","Al"],"chemical_system":"Al-Tm","density":7.533977286839333,"density_atomic":0.0404542138874826,"volume":494.38607447983134,"volume_molar":14.886312651506941,"formula_full":"Tm12 Al8","formula_reduced":"Tm3Al2","formula_anonymous":"A2B3","energy":-90.21341018,"energy_per_atom":-4.510670509,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.21341018,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0138174,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.449000Z","spacegroup":136},{"id":"mp-1094477","created_at":"2022-09-04T14:46:34.076379Z","structure_string":"Mg1 Zn1\n1.0\n4.503313 -1.582605 0.000000\n4.503313 1.582605 0.000000\n3.947136 0.000000 2.684135\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n","nsites":2,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":3.8937700512121878,"density_atomic":0.052274631258389145,"volume":38.25947599925032,"volume_molar":11.520197493566355,"formula_full":"Mg1 Zn1","formula_reduced":"MgZn","formula_anonymous":"AB","energy":-2.87920174,"energy_per_atom":-1.43960087,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-2.87920174,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008936,"is_theoretical":true,"updated_at":"2021-11-28T01:37:31.431000Z","spacegroup":166},{"id":"mp-1223572","created_at":"2022-09-04T14:46:34.084822Z","structure_string":"La10 Ti12 S6 Cl6 O30\n1.0\n6.272246 8.844482 0.000000\n-6.272246 8.844482 0.000000\n0.000000 8.758620 8.864271\nLa Ti S Cl O\n10 12 6 6 30\ndirect\n0.005385 0.005385 0.326673 La\n0.994615 0.994615 0.673327 La\n0.339257 0.660743 0.000000 La\n0.660743 0.339257 0.000000 La\n0.650398 0.650398 0.342654 La\n0.349602 0.349602 0.657346 La\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.000000 La\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 La\n0.668311 0.939296 0.695643 Ti\n0.939296 0.668311 0.695643 Ti\n0.331689 0.060704 0.304357 Ti\n0.060704 0.331689 0.304357 Ti\n0.650503 0.650503 0.049291 Ti\n0.368129 0.368129 0.328284 Ti\n0.349497 0.349497 0.950709 Ti\n0.631871 0.631871 0.671716 Ti\n0.697275 0.299622 0.355235 Ti\n0.700378 0.302725 0.644765 Ti\n0.302725 0.700378 0.644765 Ti\n0.299622 0.697275 0.355235 Ti\n0.793541 0.204595 0.185649 S\n0.206459 0.795405 0.814351 S\n0.204595 0.793541 0.185649 S\n0.795405 0.206459 0.814351 S\n0.814228 0.814228 0.981304 S\n0.185772 0.185772 0.018696 S\n0.384973 0.026372 0.793085 Cl\n0.615027 0.973628 0.206915 Cl\n0.973628 0.615027 0.206915 Cl\n0.026372 0.384973 0.793085 Cl\n0.820619 0.820619 0.382448 Cl\n0.179381 0.179381 0.617552 Cl\n0.699987 0.073787 0.501763 O\n0.074921 0.701196 0.721677 O\n0.298804 0.925079 0.278323 O\n0.926213 0.300013 0.498237 O\n0.569313 0.798325 0.923626 O\n0.426773 0.202147 0.296746 O\n0.201675 0.430687 0.076374 O\n0.797853 0.573227 0.703254 O\n0.719660 0.502017 0.205071 O\n0.497983 0.280340 0.794929 O\n0.508205 0.723676 0.567160 O\n0.276324 0.491795 0.432840 O\n0.300013 0.926213 0.498237 O\n0.925079 0.298804 0.278323 O\n0.701196 0.074921 0.721677 O\n0.073787 0.699987 0.501763 O\n0.430687 0.201675 0.076374 O\n0.573227 0.797853 0.703254 O\n0.798325 0.569313 0.923626 O\n0.202147 0.426773 0.296746 O\n0.280340 0.497983 0.794929 O\n0.502017 0.719660 0.205071 O\n0.491795 0.276324 0.432840 O\n0.723676 0.508205 0.567160 O\n0.873112 0.873112 0.627245 O\n0.126888 0.126888 0.372755 O\n0.500507 0.500507 0.129297 O\n0.499493 0.499493 0.870703 O\n0.629051 0.370949 0.500000 O\n0.370949 0.629051 0.500000 O\n","nsites":64,"nelements":5,"elements":["La","Ti","S","Cl","O"],"chemical_system":"Cl-La-O-S-Ti","density":4.809547740743063,"density_atomic":0.0650745940832626,"volume":983.4867339796592,"volume_molar":9.254211793153411,"formula_full":"La10 Ti12 S6 Cl6 O30","formula_reduced":"La5Ti6S3(ClO5)3","formula_anonymous":"A3B3C5D6E15","energy":-542.87231566,"energy_per_atom":-8.4823799321875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-515.56031566,"band_gap":1.7769000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002128,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.154000Z","spacegroup":12},{"id":"mp-771001","created_at":"2022-09-04T14:46:34.181753Z","structure_string":"Li4 Ti3 Fe5 O16\n1.0\n2.917234 4.974396 0.000000\n-2.917234 4.974396 0.000000\n0.000000 0.136208 9.675609\nLi Ti Fe O\n4 3 5 16\ndirect\n0.670560 0.670560 0.891898 Li\n0.991157 0.991157 0.993388 Li\n0.994921 0.994921 0.496026 Li\n0.337105 0.337105 0.397404 Li\n0.347145 0.837844 0.218293 Ti\n0.837844 0.347145 0.218293 Ti\n0.173553 0.173553 0.721362 Ti\n0.669460 0.669460 0.502624 Fe\n0.825818 0.825818 0.210538 Fe\n0.339749 0.339749 0.996581 Fe\n0.174771 0.656391 0.711633 Fe\n0.656391 0.174771 0.711633 Fe\n0.327382 0.832170 0.600627 O\n0.518972 0.518972 0.331597 O\n0.658416 0.658416 0.096588 O\n0.998332 0.998332 0.308403 O\n0.994174 0.994174 0.805946 O\n0.832170 0.327382 0.600627 O\n0.524830 0.966294 0.338374 O\n0.966294 0.524830 0.338374 O\n0.163383 0.163383 0.097838 O\n0.837784 0.837784 0.611167 O\n0.036990 0.485168 0.834333 O\n0.485168 0.036990 0.834333 O\n0.336743 0.336743 0.604498 O\n0.151871 0.671734 0.103950 O\n0.480745 0.480745 0.828437 O\n0.671734 0.151871 0.103950 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","Fe","O"],"chemical_system":"Fe-Li-O-Ti","density":4.178214733828297,"density_atomic":0.09970985938993339,"volume":280.8147576510057,"volume_molar":6.03966427878444,"formula_full":"Li4 Ti3 Fe5 O16","formula_reduced":"Li4Ti3Fe5O16","formula_anonymous":"A3B4C5D16","energy":-217.427511,"energy_per_atom":-7.76526825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.155511,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0001295,"is_theoretical":true,"updated_at":"2021-11-28T01:37:35.572000Z","spacegroup":8},{"id":"mp-1175898","created_at":"2022-09-04T14:46:34.260250Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.831720 0.000000 0.000000\n0.000000 5.068060 0.000000\n0.000000 1.668629 9.711507\nLi Mn Co O\n9 2 5 16\ndirect\n0.001444 0.247598 0.242079 Li\n0.243126 0.247320 0.759430 Li\n0.502447 0.252677 0.242854 Li\n0.243126 0.752680 0.240570 Li\n0.502447 0.747323 0.757146 Li\n0.752431 0.751683 0.241692 Li\n0.752431 0.248317 0.758308 Li\n0.001444 0.752402 0.757921 Li\n0.000643 0.000000 0.000000 Li\n0.999773 0.500000 0.500000 Mn\n0.248211 0.500000 0.000000 Mn\n0.500208 0.500000 0.500000 Co\n0.757570 0.500000 0.000000 Co\n0.500944 0.000000 0.000000 Co\n0.747981 0.000000 0.500000 Co\n0.252042 0.000000 0.500000 Co\n0.759535 0.378161 0.387082 O\n0.010517 0.392428 0.885241 O\n0.236989 0.376257 0.389705 O\n0.002564 0.854129 0.387184 O\n0.266456 0.860322 0.892686 O\n0.503394 0.862650 0.386308 O\n0.485680 0.377472 0.885013 O\n0.738725 0.859844 0.887253 O\n0.266456 0.139678 0.107314 O\n0.503394 0.137350 0.613692 O\n0.738725 0.140156 0.112747 O\n0.485680 0.622528 0.114987 O\n0.759535 0.621839 0.612918 O\n0.010517 0.607572 0.114759 O\n0.002564 0.145871 0.612816 O\n0.236989 0.623743 0.610295 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.182762786707961,"density_atomic":0.1114871822328052,"volume":287.0285117905148,"volume_molar":5.401644062924374,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-207.86898971,"energy_per_atom":-6.4959059284375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.35098971,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1333469,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.383000Z","spacegroup":3},{"id":"mp-1062510","created_at":"2022-09-04T14:46:34.681826Z","structure_string":"Nd1 Pd2\n1.0\n-1.984140 1.984140 4.429096\n1.984140 -1.984140 4.429096\n1.984140 1.984140 -4.429096\nNd Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n","nsites":3,"nelements":2,"elements":["Nd","Pd"],"chemical_system":"Nd-Pd","density":8.50153497870646,"density_atomic":0.04301317932759981,"volume":69.74606497118482,"volume_molar":14.000687357086013,"formula_full":"Nd1 Pd2","formula_reduced":"NdPd2","formula_anonymous":"AB2","energy":-16.72414198,"energy_per_atom":-5.574713993333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.72414198,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016518,"is_theoretical":false,"updated_at":"2021-11-28T01:37:31.156000Z","spacegroup":139}]}