{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=51","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=49","results":[{"id":"mp-1188282","created_at":"2022-09-04T14:42:43.325212Z","structure_string":"Fe4 Co8 B4\n1.0\n0.000000 0.000000 4.352412\n5.202799 0.000000 0.000000\n0.000000 6.571645 0.000000\nFe Co B\n4 8 4\ndirect\n0.869424 0.528220 0.250000 Fe\n0.630576 0.028220 0.250000 Fe\n0.130576 0.471780 0.750000 Fe\n0.369424 0.971780 0.750000 Fe\n0.352762 0.685909 0.059888 Co\n0.147238 0.185909 0.440112 Co\n0.647238 0.314091 0.559888 Co\n0.852762 0.814091 0.940112 Co\n0.647238 0.314091 0.940112 Co\n0.852762 0.814091 0.559888 Co\n0.352762 0.685909 0.440112 Co\n0.147238 0.185909 0.059888 Co\n0.070932 0.883150 0.250000 B\n0.429068 0.383150 0.250000 B\n0.929068 0.116850 0.750000 B\n0.570932 0.616850 0.750000 B\n","nsites":16,"nelements":3,"elements":["Fe","Co","B"],"chemical_system":"B-Co-Fe","density":8.236012895820839,"density_atomic":0.10751742154856861,"volume":148.81309251610313,"volume_molar":5.601083687892972,"formula_full":"Fe4 Co8 B4","formula_reduced":"FeCo2B","formula_anonymous":"ABC2","energy":-120.7093937,"energy_per_atom":-7.54433710625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.7093937,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0334001,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.379000Z","spacegroup":62},{"id":"mp-1026674","created_at":"2022-09-04T14:42:43.333084Z","structure_string":"Na1 Sr1 Mg14\n1.0\n6.666898 0.000000 -0.000000\n-3.333449 5.773703 0.000000\n-0.000000 0.000000 10.516620\nNa Sr Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Na\n0.166667 0.333333 0.625000 Sr\n0.168992 0.834496 0.125000 Mg\n0.173521 0.836760 0.625000 Mg\n0.665504 0.331008 0.125000 Mg\n0.663240 0.326479 0.625000 Mg\n0.665504 0.834496 0.125000 Mg\n0.663240 0.836760 0.625000 Mg\n0.338414 0.161586 0.369632 Mg\n0.338414 0.161586 0.880368 Mg\n0.338414 0.676829 0.369632 Mg\n0.338414 0.676829 0.880368 Mg\n0.823171 0.161586 0.369632 Mg\n0.823171 0.161586 0.880368 Mg\n0.833333 0.666667 0.377649 Mg\n0.833333 0.666667 0.872351 Mg\n","nsites":16,"nelements":3,"elements":["Na","Sr","Mg"],"chemical_system":"Mg-Na-Sr","density":1.8495045935082763,"density_atomic":0.03952442406545216,"volume":404.81298281548936,"volume_molar":15.236504774939615,"formula_full":"Na1 Sr1 Mg14","formula_reduced":"NaSrMg14","formula_anonymous":"ABC14","energy":-24.43436934,"energy_per_atom":-1.52714808375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.43436934,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.428000Z","spacegroup":187},{"id":"mp-1206839","created_at":"2022-09-04T14:42:43.353810Z","structure_string":"Eu2 Er1 Ta1 O6\n1.0\n0.000000 4.174802 4.174802\n4.174802 0.000000 4.174802\n4.174802 4.174802 0.000000\nEu Er Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Ta\n0.761600 0.238400 0.238400 O\n0.238400 0.761600 0.761600 O\n0.238400 0.761600 0.238400 O\n0.761600 0.238400 0.761600 O\n0.238400 0.238400 0.761600 O\n0.761600 0.761600 0.238400 O\n","nsites":10,"nelements":4,"elements":["Eu","Er","Ta","O"],"chemical_system":"Er-Eu-O-Ta","density":8.536685199578253,"density_atomic":0.06871670960400804,"volume":145.52501214954464,"volume_molar":8.76372107265268,"formula_full":"Eu2 Er1 Ta1 O6","formula_reduced":"Eu2ErTaO6","formula_anonymous":"ABC2D6","energy":-101.72297243,"energy_per_atom":-10.172297243,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.60097243,"band_gap":0.6359000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.0012898,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.985000Z","spacegroup":225},{"id":"mp-753133","created_at":"2022-09-04T14:42:43.365648Z","structure_string":"Li6 Fe4 O12\n1.0\n5.878820 -2.864285 -0.049351\n0.021285 -3.064411 5.005132\n-3.640418 -4.035442 -2.564753\nLi Fe O\n6 4 12\ndirect\n0.001416 0.491023 0.484211 Li\n0.333361 0.166664 0.833340 Li\n0.333307 0.666671 0.833323 Li\n0.333298 0.166673 0.333327 Li\n0.333289 0.666674 0.333325 Li\n0.665235 0.842308 0.182444 Li\n0.006856 0.498159 0.005742 Fe\n0.009314 0.997314 0.014926 Fe\n0.657362 0.336030 0.651741 Fe\n0.659826 0.835162 0.660924 Fe\n0.368011 0.405635 0.592013 O\n0.375887 0.906567 0.602137 O\n0.691410 0.062197 0.899717 O\n0.680427 0.591190 0.886928 O\n0.290810 0.426759 0.064545 O\n0.298658 0.927699 0.074655 O\n0.668129 0.065941 0.458002 O\n0.670665 0.604267 0.447867 O\n0.975307 0.271127 0.766962 O\n0.986240 0.742140 0.779743 O\n0.998517 0.267408 0.208650 O\n0.996007 0.729056 0.218808 O\n","nsites":22,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":3.4886681043775165,"density_atomic":0.10113446289920038,"volume":217.53217814512112,"volume_molar":5.954588166451432,"formula_full":"Li6 Fe4 O12","formula_reduced":"Li3(FeO3)2","formula_anonymous":"A2B3C6","energy":-141.18525168000002,"energy_per_atom":-6.417511440000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.91725168,"band_gap":0.3877,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9900266,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.794000Z","spacegroup":2},{"id":"mp-1223975","created_at":"2022-09-04T14:42:43.366875Z","structure_string":"K2 Nd2 Ti3 O10\n1.0\n0.000000 2.770040 14.943637\n2.751505 0.000000 14.943637\n2.751505 2.770040 0.000000\nK Nd Ti O\n2 2 3 10\ndirect\n0.706784 0.708877 0.291123 K\n0.291123 0.293216 0.706784 K\n0.552319 0.591407 0.408593 Nd\n0.408593 0.447681 0.552319 Nd\n0.136655 0.141861 0.858139 Ti\n0.858139 0.863345 0.136655 Ti\n0.010721 0.989279 0.010721 Ti\n0.090578 0.037899 0.962101 O\n0.962101 0.909422 0.090578 O\n0.198425 0.198492 0.801508 O\n0.801508 0.801575 0.198425 O\n0.126093 0.125137 0.378451 O\n0.629681 0.621549 0.874863 O\n0.874863 0.873907 0.629681 O\n0.378451 0.370319 0.126093 O\n0.529648 0.470352 0.055317 O\n0.055317 0.944683 0.529648 O\n","nsites":17,"nelements":4,"elements":["K","Nd","Ti","O"],"chemical_system":"K-Nd-O-Ti","density":4.886071924996966,"density_atomic":0.07462876754005891,"volume":227.79419465656878,"volume_molar":8.069462967839394,"formula_full":"K2 Nd2 Ti3 O10","formula_reduced":"K2Nd2Ti3O10","formula_anonymous":"A2B2C3D10","energy":-142.41063446,"energy_per_atom":-8.377096144705883,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.54063446,"band_gap":2.2681,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023073,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.604000Z","spacegroup":42},{"id":"mp-13212","created_at":"2022-09-04T14:42:43.373358Z","structure_string":"Gd2 Cu2 Ge2\n1.0\n2.133734 -3.695736 0.000000\n2.133734 3.695736 0.000000\n0.000000 0.000000 7.495701\nGd Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.497379 Gd\n0.000000 0.000000 0.997379 Gd\n0.333333 0.666667 0.229691 Cu\n0.666667 0.333333 0.729691 Cu\n0.666667 0.333333 0.264831 Ge\n0.333333 0.666667 0.764831 Ge\n","nsites":6,"nelements":3,"elements":["Gd","Cu","Ge"],"chemical_system":"Cu-Gd-Ge","density":8.243450206912716,"density_atomic":0.05075370865664248,"volume":118.2179619737944,"volume_molar":11.865420122775289,"formula_full":"Gd2 Cu2 Ge2","formula_reduced":"GdCuGe","formula_anonymous":"ABC","energy":-49.50674339,"energy_per_atom":-8.251123898333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.50674339,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0194594,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.832000Z","spacegroup":186},{"id":"mp-943466","created_at":"2022-09-04T14:42:43.377567Z","structure_string":"Li8 Co4 P4 H4 O20\n1.0\n5.088608 -0.000517 -1.760261\n-2.025735 10.237147 -3.526056\n-0.096940 -0.081504 7.505953\nLi Co P H O\n8 4 4 4 20\ndirect\n0.482589 0.434201 0.158385 Li\n0.484945 0.933328 0.156794 Li\n0.515051 0.066669 0.843201 Li\n0.517405 0.565796 0.841612 Li\n0.222498 0.302073 0.293284 Li\n0.224336 0.801571 0.292626 Li\n0.775665 0.198430 0.707372 Li\n0.777505 0.697930 0.706724 Li\n0.999998 0.500001 0.499999 Co\n0.000000 0.000000 0.999999 Co\n0.000000 0.000001 0.499999 Co\n0.000000 0.500000 0.000000 Co\n0.327949 0.310846 0.756396 P\n0.331736 0.810892 0.755847 P\n0.668265 0.189107 0.244153 P\n0.672051 0.689155 0.243605 P\n0.697645 0.447909 0.631557 H\n0.692707 0.951284 0.632493 H\n0.307296 0.048716 0.367505 H\n0.302357 0.552091 0.368442 H\n0.164871 0.472883 0.274042 O\n0.164093 0.971726 0.272963 O\n0.835908 0.028274 0.727037 O\n0.835128 0.527118 0.725958 O\n0.260525 0.374165 0.591937 O\n0.265665 0.874287 0.591595 O\n0.734339 0.125715 0.408409 O\n0.739471 0.625836 0.408064 O\n0.649437 0.335796 0.336438 O\n0.654420 0.836047 0.335510 O\n0.345578 0.163953 0.664491 O\n0.350557 0.664202 0.663558 O\n0.611048 0.385633 0.922508 O\n0.614031 0.885841 0.923432 O\n0.385973 0.114153 0.076568 O\n0.388951 0.614368 0.077490 O\n0.121976 0.324620 0.860889 O\n0.124587 0.824125 0.859347 O\n0.875417 0.175875 0.140656 O\n0.878026 0.675381 0.139114 O\n","nsites":40,"nelements":5,"elements":["Li","Co","P","H","O"],"chemical_system":"Co-H-Li-O-P","density":3.1675743305879784,"density_atomic":0.10322623637920084,"volume":387.4983860988624,"volume_molar":5.833924563400442,"formula_full":"Li8 Co4 P4 H4 O20","formula_reduced":"Li2CoPHO5","formula_anonymous":"ABCD2E5","energy":-266.0202516,"energy_per_atom":-6.65050629,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-245.7282516,"band_gap":2.6398,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.65e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.740000Z","spacegroup":2},{"id":"mp-1234325","created_at":"2022-09-04T14:42:43.328604Z","structure_string":"Ca1 V4 Ni2 O12\n1.0\n7.253081 -0.240824 0.407323\n-0.983116 7.184234 -0.406910\n-1.251689 1.128594 5.322552\nCa V Ni O\n1 4 2 12\ndirect\n0.547913 0.548037 0.250905 Ca\n0.184350 0.649026 0.659132 V\n0.373316 0.885195 0.124330 V\n0.648974 0.183587 0.841198 V\n0.884895 0.373394 0.375407 V\n0.075295 0.075355 0.749892 Ni\n0.915288 0.915385 0.249956 Ni\n0.041858 0.823114 0.618614 O\n0.068039 0.415191 0.687195 O\n0.163507 0.984086 0.110688 O\n0.322222 0.679636 0.425424 O\n0.414955 0.068014 0.812503 O\n0.332278 0.669814 0.944752 O\n0.679717 0.322392 0.074018 O\n0.615576 0.886051 0.243843 O\n0.669840 0.330932 0.555097 O\n0.822951 0.040926 0.881465 O\n0.884542 0.615940 0.256764 O\n0.984485 0.163924 0.388820 O\n","nsites":19,"nelements":4,"elements":["Ca","V","Ni","O"],"chemical_system":"Ca-Ni-O-V","density":3.251791990698124,"density_atomic":0.0672553074096712,"volume":282.50558553343006,"volume_molar":8.95414948193966,"formula_full":"Ca1 V4 Ni2 O12","formula_reduced":"CaV4(NiO6)2","formula_anonymous":"AB2C4D12","energy":-148.87245797,"energy_per_atom":-7.835392524736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.74645797,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9997162,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.387000Z","spacegroup":5},{"id":"mp-1079939","created_at":"2022-09-04T14:42:43.342275Z","structure_string":"Fe2 H8\n1.0\n3.687712 0.000000 0.000000\n0.000000 2.896848 0.000000\n0.000000 0.889615 4.083115\nFe H\n2 8\ndirect\n0.250000 0.503083 0.764339 Fe\n0.750000 0.496917 0.235661 Fe\n0.501449 0.206371 0.568763 H\n0.001449 0.793629 0.431237 H\n0.498551 0.793629 0.431237 H\n0.998551 0.206371 0.568763 H\n0.750000 0.546852 0.849842 H\n0.250000 0.453148 0.150158 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.000000 H\n","nsites":10,"nelements":2,"elements":["Fe","H"],"chemical_system":"Fe-H","density":4.558931521522122,"density_atomic":0.22925862511010023,"volume":43.618860556271564,"volume_molar":2.6267891806067927,"formula_full":"Fe2 H8","formula_reduced":"FeH4","formula_anonymous":"AB4","energy":-41.93624231,"energy_per_atom":-4.193624230999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.50424231,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.74e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.327000Z","spacegroup":11},{"id":"mp-1177231","created_at":"2022-09-04T14:42:43.358997Z","structure_string":"Li4 V1 Cr2 Ni3 P6 O24\n1.0\n8.393129 0.000000 0.000000\n3.872496 7.570713 0.000000\n3.989005 2.503213 7.225603\nLi V Cr Ni P O\n4 1 2 3 6 24\ndirect\n0.744420 0.149550 0.355917 Li\n0.284912 0.848579 0.647956 Li\n0.643261 0.287109 0.848592 Li\n0.856290 0.643212 0.301033 Li\n0.853101 0.849828 0.852796 V\n0.009836 0.996953 0.003174 Cr\n0.492578 0.501578 0.499163 Cr\n0.357404 0.355879 0.350274 Ni\n0.142738 0.147904 0.146357 Ni\n0.645001 0.648782 0.652487 Ni\n0.056770 0.743702 0.449184 P\n0.443156 0.047472 0.750777 P\n0.750373 0.441960 0.044034 P\n0.246959 0.549444 0.960299 P\n0.554245 0.959460 0.250291 P\n0.942148 0.245901 0.537842 P\n0.468993 0.897443 0.683297 O\n0.684380 0.467211 0.893988 O\n0.900920 0.672300 0.484901 O\n0.062102 0.906176 0.257904 O\n0.015459 0.811793 0.604684 O\n0.252402 0.590802 0.435118 O\n0.245450 0.074057 0.901140 O\n0.455693 0.236050 0.588620 O\n0.168517 0.401926 0.001337 O\n0.603499 0.427029 0.241442 O\n0.100099 0.760706 0.916583 O\n0.396946 0.019602 0.177990 O\n0.601295 0.991299 0.828083 O\n0.899861 0.240100 0.073446 O\n0.405671 0.563301 0.763987 O\n0.820228 0.602749 0.995081 O\n0.558851 0.761071 0.408189 O\n0.762197 0.916151 0.100530 O\n0.747365 0.411278 0.561350 O\n0.947909 0.181551 0.397716 O\n0.912892 0.099036 0.744977 O\n0.113958 0.295426 0.488581 O\n0.302983 0.529197 0.112598 O\n0.549138 0.103434 0.311284 O\n","nsites":40,"nelements":6,"elements":["Li","V","Cr","Ni","P","O"],"chemical_system":"Cr-Li-Ni-O-P-V","density":3.3585037649795573,"density_atomic":0.08712147392758515,"volume":459.12905506221995,"volume_molar":6.912349491476198,"formula_full":"Li4 V1 Cr2 Ni3 P6 O24","formula_reduced":"Li4VCr2Ni3(PO4)6","formula_anonymous":"AB2C3D4E6F24","energy":-300.55720721,"energy_per_atom":-7.51393018025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.74820721,"band_gap":0.0144999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0297372,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.105000Z","spacegroup":1},{"id":"mp-759913","created_at":"2022-09-04T14:42:43.369365Z","structure_string":"Li20 Cr12 Fe4 O32\n1.0\n8.449628 0.000000 0.000000\n0.006918 8.600891 0.000000\n0.005801 0.052324 8.611965\nLi Cr Fe O\n20 12 4 32\ndirect\n0.100719 0.885706 0.123166 Li\n0.929557 0.456073 0.440966 Li\n0.883274 0.653246 0.633424 Li\n0.875006 0.866503 0.884266 Li\n0.869113 0.115587 0.096484 Li\n0.814255 0.303891 0.289482 Li\n0.652333 0.628554 0.859985 Li\n0.657960 0.838785 0.672483 Li\n0.616270 0.148868 0.353986 Li\n0.630873 0.353826 0.093164 Li\n0.522802 0.977075 0.507926 Li\n0.454461 0.556887 0.046760 Li\n0.405834 0.392563 0.863504 Li\n0.373964 0.147194 0.602317 Li\n0.342758 0.884955 0.354534 Li\n0.225988 0.242305 0.772764 Li\n0.305007 0.694708 0.188998 Li\n0.119104 0.656518 0.395646 Li\n0.129983 0.398576 0.601403 Li\n0.091602 0.078157 0.913032 Li\n0.876890 0.379425 0.867083 Cr\n0.873538 0.884018 0.371486 Cr\n0.875464 0.130522 0.620533 Cr\n0.625616 0.380460 0.620526 Cr\n0.374711 0.128146 0.120432 Cr\n0.375262 0.876640 0.874953 Cr\n0.375142 0.630757 0.622962 Cr\n0.125002 0.628407 0.870937 Cr\n0.124509 0.130568 0.370613 Cr\n0.625502 0.879964 0.122931 Cr\n0.625441 0.633119 0.374137 Cr\n0.125048 0.377584 0.118100 Cr\n0.875033 0.627637 0.123291 Fe\n0.623264 0.124776 0.864853 Fe\n0.374884 0.384620 0.366772 Fe\n0.127043 0.885832 0.625962 Fe\n0.882890 0.371259 0.100882 O\n0.875780 0.893523 0.611241 O\n0.883511 0.120745 0.382497 O\n0.886798 0.618405 0.866626 O\n0.866791 0.369163 0.630694 O\n0.863789 0.884212 0.132920 O\n0.867352 0.649885 0.379698 O\n0.875243 0.139519 0.857194 O\n0.633467 0.870059 0.359815 O\n0.636001 0.384946 0.859325 O\n0.629789 0.142327 0.613900 O\n0.629450 0.642114 0.138330 O\n0.616561 0.120581 0.120957 O\n0.617066 0.618689 0.612785 O\n0.617202 0.872065 0.888242 O\n0.626528 0.392398 0.381609 O\n0.369072 0.114543 0.882216 O\n0.381656 0.889428 0.114061 O\n0.380897 0.638406 0.387189 O\n0.380063 0.386501 0.629417 O\n0.370028 0.120800 0.364366 O\n0.368587 0.637050 0.861036 O\n0.370080 0.364680 0.113153 O\n0.380554 0.869799 0.637526 O\n0.124282 0.369970 0.358421 O\n0.133502 0.863138 0.878586 O\n0.133271 0.138446 0.132522 O\n0.134238 0.629926 0.631332 O\n0.120420 0.614102 0.108806 O\n0.113530 0.892251 0.367264 O\n0.120448 0.138278 0.607749 O\n0.116947 0.390944 0.881391 O\n","nsites":68,"nelements":4,"elements":["Li","Cr","Fe","O"],"chemical_system":"Cr-Fe-Li-O","density":3.974810867913448,"density_atomic":0.10864897247824792,"volume":625.8687813510059,"volume_molar":5.542749850860912,"formula_full":"Li20 Cr12 Fe4 O32","formula_reduced":"Li5Cr3FeO8","formula_anonymous":"AB3C5D8","energy":-494.85343806,"energy_per_atom":-7.277256442058823,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-439.85743806,"band_gap":2.3598,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":52.0000467,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.203000Z","spacegroup":1},{"id":"mp-755041","created_at":"2022-09-04T14:42:41.259687Z","structure_string":"Tm4 Mn4 O14\n1.0\n0.000000 4.969216 4.969216\n4.969216 0.000000 4.969216\n4.969216 4.969216 0.000000\nTm Mn O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Tm\n0.125000 0.125000 0.625000 Tm\n0.625000 0.125000 0.125000 Tm\n0.125000 0.125000 0.125000 Tm\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.293087 0.706913 0.706913 O\n0.543087 0.956913 0.956913 O\n0.706913 0.706913 0.293087 O\n0.293087 0.293087 0.706913 O\n0.000000 0.000000 0.000000 O\n0.293087 0.706913 0.293087 O\n0.706913 0.293087 0.706913 O\n0.956913 0.543087 0.956913 O\n0.543087 0.543087 0.956913 O\n0.956913 0.956913 0.543087 O\n0.250000 0.250000 0.250000 O\n0.543087 0.956913 0.543087 O\n0.706913 0.293087 0.293087 O\n0.956913 0.543087 0.543087 O\n","nsites":22,"nelements":3,"elements":["Tm","Mn","O"],"chemical_system":"Mn-O-Tm","density":7.5748154573907085,"density_atomic":0.08964561695460922,"volume":245.4107712944782,"volume_molar":6.717719130706887,"formula_full":"Tm4 Mn4 O14","formula_reduced":"Tm2Mn2O7","formula_anonymous":"A2B2C7","energy":-188.28769034,"energy_per_atom":-8.55853137909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.99769034,"band_gap":0.9966,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.526000Z","spacegroup":227}]}