{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10266","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=10264","results":[{"id":"mp-641281","created_at":"2022-09-04T14:42:52.357622Z","structure_string":"Na8 Pu2 Mo8 O32\n1.0\n-5.691705 5.691705 6.007181\n5.691705 -5.691705 6.007181\n5.691705 5.691705 -6.007181\nNa Pu Mo O\n8 2 8 32\ndirect\n0.636480 0.256277 0.835453 Na\n0.329176 0.448973 0.335453 Na\n0.743723 0.579176 0.380203 Na\n0.006277 0.670824 0.119797 Na\n0.198973 0.363520 0.619797 Na\n0.551027 0.886480 0.880203 Na\n0.113520 0.993723 0.664547 Na\n0.420824 0.801027 0.164547 Na\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Pu\n0.321263 0.097088 0.413575 Mo\n0.657689 0.571263 0.724175 Mo\n0.066486 0.342311 0.913575 Mo\n0.092311 0.678737 0.775825 Mo\n0.847088 0.933514 0.275825 Mo\n0.683514 0.907689 0.586425 Mo\n0.902912 0.316486 0.224175 Mo\n0.428737 0.152912 0.086425 Mo\n0.087786 0.266198 0.057563 O\n0.106527 0.421457 0.384493 O\n0.875663 0.832144 0.388391 O\n0.582144 0.693753 0.456481 O\n0.171457 0.286964 0.814930 O\n0.897789 0.984191 0.738996 O\n0.472034 0.356527 0.185070 O\n0.713036 0.527966 0.884493 O\n0.578543 0.963036 0.685070 O\n0.015809 0.754805 0.913598 O\n0.662214 0.983802 0.442437 O\n0.504805 0.091207 0.238996 O\n0.643473 0.828543 0.115507 O\n0.734191 0.495195 0.586402 O\n0.208636 0.030223 0.942437 O\n0.167856 0.556247 0.043519 O\n0.277966 0.893473 0.314930 O\n0.036964 0.722034 0.615507 O\n0.541364 0.219777 0.557563 O\n0.237272 0.125663 0.543519 O\n0.874337 0.417856 0.111609 O\n0.016198 0.458636 0.678413 O\n0.969777 0.912214 0.178413 O\n0.852211 0.265809 0.761004 O\n0.512728 0.124337 0.956481 O\n0.443753 0.487272 0.611609 O\n0.306247 0.762728 0.888391 O\n0.245195 0.158793 0.261004 O\n0.908793 0.147789 0.413598 O\n0.841207 0.102211 0.086402 O\n0.733802 0.791364 0.821587 O\n0.780223 0.337786 0.321587 O\n","nsites":50,"nelements":4,"elements":["Na","Pu","Mo","O"],"chemical_system":"Mo-Na-O-Pu","density":4.162786545842973,"density_atomic":0.0642324563033856,"volume":778.422667877401,"volume_molar":9.375541753464878,"formula_full":"Na8 Pu2 Mo8 O32","formula_reduced":"Na4Pu(MoO4)4","formula_anonymous":"AB4C4D16","energy":-397.6897273400001,"energy_per_atom":-7.953794546800002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-350.08972734,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9985491,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.122000Z","spacegroup":88},{"id":"mp-1031344","created_at":"2022-09-04T14:42:52.446101Z","structure_string":"Li1 Mg6 Ti1 O8\n1.0\n8.631463 0.000000 0.000000\n-0.000000 4.198016 0.000000\n0.000000 0.000000 4.198016\nLi Mg Ti O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249762 -0.000000 0.500000 Mg\n0.750238 0.000000 0.500000 Mg\n0.249762 0.500000 -0.000000 Mg\n0.750238 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.245133 -0.000000 -0.000000 O\n0.754867 0.000000 0.000000 O\n0.256906 0.500000 0.500000 O\n0.743094 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Li","Mg","Ti","O"],"chemical_system":"Li-Mg-O-Ti","density":3.587467216045518,"density_atomic":0.10518344490758647,"volume":152.11519278587522,"volume_molar":5.725369391819233,"formula_full":"Li1 Mg6 Ti1 O8","formula_reduced":"LiMg6TiO8","formula_anonymous":"ABC6D8","energy":-106.85515872,"energy_per_atom":-6.67844742,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.35915872,"band_gap":0.5356999999999994,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.830000Z","spacegroup":123},{"id":"mp-767395","created_at":"2022-09-04T14:42:52.457151Z","structure_string":"Li6 Cu2 Sb2 O10\n1.0\n5.202148 -0.019665 -0.027679\n-1.278028 5.311107 0.040251\n-1.719276 -2.527697 7.215896\nLi Cu Sb O\n6 2 2 10\ndirect\n0.224936 0.891389 0.375763 Li\n0.418055 0.297731 0.811907 Li\n0.498082 0.488568 0.492431 Li\n0.290953 0.106984 0.100438 Li\n0.589770 0.703589 0.197304 Li\n0.776855 0.104797 0.610949 Li\n0.006871 0.500536 0.002491 Cu\n0.706362 0.895710 0.903415 Cu\n0.106638 0.699510 0.701562 Sb\n0.888238 0.296042 0.295508 Sb\n0.049727 0.037455 0.826872 O\n0.343226 0.682508 0.938389 O\n0.144624 0.339480 0.549228 O\n0.221723 0.506636 0.242141 O\n0.456113 0.889143 0.667819 O\n0.560249 0.112210 0.349328 O\n0.791132 0.480393 0.759542 O\n0.866277 0.664486 0.450047 O\n0.669315 0.341028 0.069173 O\n0.935792 0.953964 0.162133 O\n","nsites":20,"nelements":4,"elements":["Li","Cu","Sb","O"],"chemical_system":"Cu-Li-O-Sb","density":4.766096961099461,"density_atomic":0.10031282297123655,"volume":199.37630511838702,"volume_molar":6.003360868158175,"formula_full":"Li6 Cu2 Sb2 O10","formula_reduced":"Li3CuSbO5","formula_anonymous":"ABC3D5","energy":-116.16110557,"energy_per_atom":-5.8080552785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.29110557,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0003077,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.246000Z","spacegroup":1},{"id":"mp-1210044","created_at":"2022-09-04T14:42:52.398682Z","structure_string":"Nd4 Eu8 Be4 O20\n1.0\n6.577655 0.000000 0.000000\n0.000000 7.269913 0.000000\n0.000000 0.000000 9.573034\nNd Eu Be O\n4 8 4 20\ndirect\n0.095905 0.750000 0.975849 Nd\n0.904095 0.250000 0.024151 Nd\n0.595905 0.250000 0.524151 Nd\n0.404095 0.750000 0.475849 Nd\n0.579463 0.522886 0.826554 Eu\n0.420537 0.477114 0.173446 Eu\n0.079463 0.477114 0.673446 Eu\n0.420537 0.022886 0.173446 Eu\n0.920537 0.522886 0.326554 Eu\n0.579463 0.977114 0.826554 Eu\n0.920537 0.977114 0.326554 Eu\n0.079463 0.022886 0.673446 Eu\n0.808441 0.750000 0.599816 Be\n0.191559 0.250000 0.400184 Be\n0.308441 0.250000 0.900184 Be\n0.691559 0.750000 0.099816 Be\n0.691361 0.559071 0.567107 O\n0.308639 0.440929 0.432893 O\n0.191361 0.440929 0.932893 O\n0.308639 0.059071 0.432893 O\n0.808639 0.559071 0.067107 O\n0.691361 0.940929 0.567107 O\n0.808639 0.940929 0.067107 O\n0.191361 0.059071 0.932893 O\n0.335280 0.750000 0.723428 O\n0.664720 0.250000 0.276572 O\n0.835280 0.250000 0.776572 O\n0.164720 0.750000 0.223428 O\n0.020979 0.750000 0.509312 O\n0.979021 0.250000 0.490688 O\n0.520979 0.250000 0.990688 O\n0.479021 0.750000 0.009312 O\n0.864478 0.750000 0.772321 O\n0.135522 0.250000 0.227679 O\n0.364478 0.250000 0.727679 O\n0.635522 0.750000 0.272321 O\n","nsites":36,"nelements":4,"elements":["Nd","Eu","Be","O"],"chemical_system":"Be-Eu-Nd-O","density":7.79432223352233,"density_atomic":0.07864164600436994,"volume":457.77271749881174,"volume_molar":7.6576992801821095,"formula_full":"Nd4 Eu8 Be4 O20","formula_reduced":"NdEu2BeO5","formula_anonymous":"ABC2D5","energy":-337.36208152,"energy_per_atom":-9.37116893111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-323.62208152,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.9995887,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.435000Z","spacegroup":62},{"id":"mp-1032166","created_at":"2022-09-04T14:42:52.422868Z","structure_string":"Mg6 Co1 Si1 O8\n1.0\n8.635358 0.000000 0.000000\n0.000000 4.267387 0.000000\n0.000000 0.000000 4.267387\nMg Co Si O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250507 0.000000 0.500000 Mg\n0.749493 0.000000 0.500000 Mg\n0.250507 0.500000 0.000000 Mg\n0.749493 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Si\n0.259989 0.000000 0.000000 O\n0.740011 0.000000 0.000000 O\n0.248484 0.500000 0.500000 O\n0.751516 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Mg","Co","Si","O"],"chemical_system":"Co-Mg-O-Si","density":3.8103428324990953,"density_atomic":0.10174558564321648,"volume":157.2549796519525,"volume_molar":5.918822641718711,"formula_full":"Mg6 Co1 Si1 O8","formula_reduced":"Mg6CoSiO8","formula_anonymous":"ABC6D8","energy":-102.00210757,"energy_per_atom":-6.375131723125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.86810757,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.3333541,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.739000Z","spacegroup":123},{"id":"mp-559256","created_at":"2022-09-04T14:42:52.433466Z","structure_string":"La8 S6 N2 Cl6\n1.0\n4.737664 -8.205874 0.000000\n4.737664 8.205874 0.000000\n0.000000 0.000000 7.032426\nLa S N Cl\n8 6 2 6\ndirect\n0.201374 0.402749 0.250668 La\n0.201374 0.798626 0.250668 La\n0.333333 0.666667 0.710835 La\n0.798626 0.201374 0.750668 La\n0.402749 0.201374 0.750668 La\n0.798626 0.597251 0.750668 La\n0.597251 0.798626 0.250668 La\n0.666667 0.333333 0.210835 La\n0.468263 0.531737 0.971701 S\n0.468263 0.936526 0.971701 S\n0.531737 0.063474 0.471701 S\n0.531737 0.468263 0.471701 S\n0.936526 0.468263 0.471701 S\n0.063474 0.531737 0.971701 S\n0.333333 0.666667 0.365471 N\n0.666667 0.333333 0.865471 N\n0.868089 0.736178 0.142096 Cl\n0.131911 0.868089 0.642096 Cl\n0.868089 0.131911 0.142096 Cl\n0.131911 0.263822 0.642096 Cl\n0.263822 0.131911 0.142096 Cl\n0.736178 0.868089 0.642096 Cl\n","nsites":22,"nelements":4,"elements":["La","S","N","Cl"],"chemical_system":"Cl-La-N-S","density":4.690021412257328,"density_atomic":0.040234481894122674,"volume":546.7946637884677,"volume_molar":14.967611055231943,"formula_full":"La8 S6 N2 Cl6","formula_reduced":"La4S3NCl3","formula_anonymous":"AB3C3D4","energy":-148.39809818,"energy_per_atom":-6.74536809909091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.97409818,"band_gap":2.9165,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008448,"is_theoretical":false,"updated_at":"2021-11-28T01:36:01.074000Z","spacegroup":186},{"id":"mp-1193394","created_at":"2022-09-04T14:42:52.440729Z","structure_string":"Na4 Eu8 Al4 P12\n1.0\n4.451123 6.691260 0.000000\n-4.451123 6.691260 0.000000\n0.000000 3.707133 10.834081\nNa Eu Al P\n4 8 4 12\ndirect\n0.696785 0.303215 0.500000 Na\n0.303215 0.696785 0.500000 Na\n0.522860 0.522860 0.739666 Na\n0.477140 0.477140 0.260334 Na\n0.042801 0.582241 0.819246 Eu\n0.582241 0.042801 0.819246 Eu\n0.957199 0.417759 0.180754 Eu\n0.417759 0.957199 0.180754 Eu\n0.755873 0.244127 0.000000 Eu\n0.244127 0.755873 0.000000 Eu\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.030366 0.030366 0.616375 Al\n0.969634 0.969634 0.383625 Al\n0.164996 0.164996 0.765754 Al\n0.835004 0.835004 0.234246 Al\n0.857673 0.272461 0.728544 P\n0.272461 0.857673 0.728544 P\n0.142327 0.727539 0.271456 P\n0.727539 0.142327 0.271456 P\n0.142654 0.142654 0.399067 P\n0.857346 0.857346 0.600933 P\n0.173325 0.173325 0.977438 P\n0.826675 0.826675 0.022562 P\n0.338536 0.338536 0.629775 P\n0.661464 0.661464 0.370225 P\n0.341093 0.341093 0.994369 P\n0.658907 0.658907 0.005631 P\n","nsites":28,"nelements":4,"elements":["Na","Eu","Al","P"],"chemical_system":"Al-Eu-Na-P","density":4.598780650729239,"density_atomic":0.04338688358228398,"volume":645.3563309495947,"volume_molar":13.880095233341441,"formula_full":"Na4 Eu8 Al4 P12","formula_reduced":"NaEu2AlP3","formula_anonymous":"ABC2D3","energy":-193.15443411,"energy_per_atom":-6.898372646785715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.15443411,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":55.9998674,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.133000Z","spacegroup":12},{"id":"mp-6793","created_at":"2022-09-04T14:42:52.445322Z","structure_string":"Ba2 La4 Zn2 O10\n1.0\n-3.472581 3.472581 5.867529\n3.472581 -3.472581 5.867529\n3.472581 3.472581 -5.867529\nBa La Zn O\n2 4 2 10\ndirect\n0.750000 0.750000 0.000000 Ba\n0.250000 0.250000 0.000000 Ba\n0.323609 0.823609 0.147219 La\n0.823609 0.676391 0.500000 La\n0.176391 0.323609 0.500000 La\n0.676391 0.176391 0.852781 La\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.278556 0.778556 0.791554 O\n0.012997 0.512997 0.791554 O\n0.721444 0.221444 0.208446 O\n0.221444 0.012997 0.500000 O\n0.512997 0.721444 0.500000 O\n0.778556 0.987003 0.500000 O\n0.487003 0.278556 0.500000 O\n0.987003 0.487003 0.208446 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":18,"nelements":4,"elements":["Ba","La","Zn","O"],"chemical_system":"Ba-La-O-Zn","density":6.577619537801509,"density_atomic":0.0635993240109778,"volume":283.02187609561764,"volume_molar":9.468875422261604,"formula_full":"Ba2 La4 Zn2 O10","formula_reduced":"BaLa2ZnO5","formula_anonymous":"ABC2D5","energy":-133.0070188,"energy_per_atom":-7.389278822222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.1370188,"band_gap":3.1916,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003414,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.185000Z","spacegroup":140},{"id":"mp-731668","created_at":"2022-09-04T14:42:52.701273Z","structure_string":"Ca4 Mn2 As4 O20\n1.0\n13.562851 0.000000 0.000000\n0.000000 5.463262 0.000000\n0.000000 1.428465 5.592702\nCa Mn As O\n4 2 4 20\ndirect\n0.357801 0.299234 0.549148 Ca\n0.857801 0.200766 0.450852 Ca\n0.642199 0.700766 0.450852 Ca\n0.142199 0.799234 0.549148 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.377170 0.952102 0.175609 As\n0.877170 0.547898 0.824391 As\n0.622830 0.047898 0.824391 As\n0.122830 0.452102 0.175609 As\n0.330824 0.010604 0.898267 O\n0.830824 0.489396 0.101733 O\n0.669176 0.989396 0.101733 O\n0.169176 0.510604 0.898267 O\n0.447133 0.670302 0.247362 O\n0.947133 0.829698 0.752638 O\n0.552867 0.329698 0.752638 O\n0.052867 0.170302 0.247362 O\n0.458221 0.185977 0.228664 O\n0.958221 0.314023 0.771336 O\n0.541779 0.814023 0.771336 O\n0.041779 0.685977 0.228664 O\n0.297067 0.938168 0.406110 O\n0.797067 0.561832 0.593890 O\n0.702933 0.061832 0.593890 O\n0.202933 0.438168 0.406110 O\n0.389776 0.524810 0.845086 O\n0.889776 0.975190 0.154914 O\n0.610224 0.475190 0.154914 O\n0.110224 0.024810 0.845086 O\n","nsites":30,"nelements":4,"elements":["Ca","Mn","As","O"],"chemical_system":"As-Ca-Mn-O","density":3.5657205162676227,"density_atomic":0.07239299703666867,"volume":414.40472460070043,"volume_molar":8.318678610514842,"formula_full":"Ca4 Mn2 As4 O20","formula_reduced":"Ca2Mn(AsO5)2","formula_anonymous":"AB2C2D10","energy":-205.20216124,"energy_per_atom":-6.840072041333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.12616124,"band_gap":0.5097,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0051909,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.934000Z","spacegroup":14},{"id":"mp-6955","created_at":"2022-09-04T14:42:52.467559Z","structure_string":"K4 Ge4 N4 O4\n1.0\n5.291175 0.000000 0.000000\n0.000000 5.810470 0.000000\n0.000000 0.000000 8.192250\nK Ge N O\n4 4 4 4\ndirect\n0.022935 0.043959 0.638861 K\n0.522935 0.456041 0.638861 K\n0.522935 0.956041 0.361139 K\n0.022935 0.543959 0.361139 K\n0.993554 0.090193 0.094718 Ge\n0.493554 0.909807 0.905282 Ge\n0.493554 0.409807 0.094718 Ge\n0.993554 0.590193 0.905282 Ge\n0.648257 0.626755 0.957602 N\n0.148257 0.373245 0.042398 N\n0.148257 0.873245 0.957602 N\n0.648257 0.126755 0.042398 N\n0.527253 0.972621 0.696673 O\n0.527253 0.472621 0.303327 O\n0.027253 0.527379 0.696673 O\n0.027253 0.027379 0.303327 O\n","nsites":16,"nelements":4,"elements":["K","Ge","N","O"],"chemical_system":"Ge-K-N-O","density":3.7380784610347604,"density_atomic":0.06352627595038647,"volume":251.86428388303253,"volume_molar":9.479763562251383,"formula_full":"K4 Ge4 N4 O4","formula_reduced":"KGeNO","formula_anonymous":"ABCD","energy":-96.536255,"energy_per_atom":-6.0335159375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.344255,"band_gap":2.6817,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004044,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.051000Z","spacegroup":29},{"id":"mp-781682","created_at":"2022-09-04T14:42:52.498624Z","structure_string":"Li2 Mn6 B6 O18\n1.0\n6.189687 0.000000 0.000000\n-0.944977 7.708670 0.000000\n-2.658776 -3.678912 7.816325\nLi Mn B O\n2 6 6 18\ndirect\n0.489108 0.164732 0.716268 Li\n0.510892 0.835268 0.283732 Li\n0.182465 0.436049 0.273730 Mn\n0.108271 0.857269 0.378880 Mn\n0.891729 0.142731 0.621120 Mn\n0.817535 0.563951 0.726270 Mn\n0.524164 0.778742 0.926471 Mn\n0.475836 0.221258 0.073529 Mn\n0.549866 0.797408 0.597544 B\n0.450134 0.202592 0.402456 B\n0.775965 0.515376 0.041218 B\n0.863549 0.128427 0.281497 B\n0.224035 0.484624 0.958782 B\n0.136451 0.871573 0.718503 B\n0.395214 0.714235 0.427852 O\n0.223654 0.354555 0.033890 O\n0.675288 0.981159 0.678311 O\n0.160427 0.997087 0.643274 O\n0.604786 0.285765 0.572148 O\n0.946254 0.570918 0.202089 O\n0.324712 0.018841 0.321689 O\n0.617912 0.340617 0.955113 O\n0.776346 0.645445 0.966110 O\n0.839573 0.002913 0.356726 O\n0.028812 0.298589 0.368240 O\n0.382088 0.659383 0.044887 O\n0.700335 0.072080 0.117456 O\n0.053746 0.429082 0.797911 O\n0.556447 0.685987 0.693247 O\n0.971188 0.701411 0.631760 O\n0.443553 0.314013 0.306753 O\n0.299665 0.927920 0.882544 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.1005274028434657,"density_atomic":0.08580235872574511,"volume":372.9501201975507,"volume_molar":7.018619125901779,"formula_full":"Li2 Mn6 B6 O18","formula_reduced":"LiMn3(BO3)3","formula_anonymous":"AB3C3D9","energy":-264.76743939,"energy_per_atom":-8.2739824809375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-242.39343939,"band_gap":0.1731,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":26.0000519,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.599000Z","spacegroup":2},{"id":"mp-738639","created_at":"2022-09-04T14:42:52.507827Z","structure_string":"Ba42 Ir24 Pd9 O99\n1.0\n10.283278 0.006152 0.001864\n-5.136311 8.896353 0.000000\n0.005931 0.003424 30.582915\nBa Ir Pd O\n42 24 9 99\ndirect\n0.656893 0.006980 0.000157 Ba\n0.343107 0.350087 0.999843 Ba\n0.000000 0.637786 0.000000 Ba\n0.333995 0.024728 0.929472 Ba\n0.689089 0.666005 0.929467 Ba\n0.989296 0.320450 0.930777 Ba\n0.666005 0.690732 0.070528 Ba\n0.010704 0.331154 0.069223 Ba\n0.310911 0.976916 0.070533 Ba\n0.326315 0.330191 0.857832 Ba\n0.995039 0.661953 0.854387 Ba\n0.670829 0.999126 0.858025 Ba\n0.673685 0.003875 0.142168 Ba\n0.329171 0.328296 0.141975 Ba\n0.004961 0.666913 0.145613 Ba\n0.675986 0.669669 0.781397 Ba\n0.005122 0.338374 0.787980 Ba\n0.332741 0.001320 0.784082 Ba\n0.324014 0.993683 0.218603 Ba\n0.667259 0.668579 0.215918 Ba\n0.994878 0.333253 0.212020 Ba\n0.312035 0.335046 0.711134 Ba\n0.007017 0.677203 0.710162 Ba\n0.667306 0.976290 0.711236 Ba\n0.687965 0.023011 0.288866 Ba\n0.332694 0.308984 0.288764 Ba\n0.992983 0.670186 0.289838 Ba\n0.355548 0.998370 0.640498 Ba\n0.657823 0.653956 0.640802 Ba\n0.997776 0.360337 0.640939 Ba\n0.644452 0.642822 0.359502 Ba\n0.002224 0.362561 0.359061 Ba\n0.342177 0.996133 0.359198 Ba\n0.336951 0.312238 0.570211 Ba\n0.982859 0.667094 0.569922 Ba\n0.681161 0.011648 0.570605 Ba\n0.663049 0.975287 0.429789 Ba\n0.318839 0.330487 0.429395 Ba\n0.017141 0.684235 0.430078 Ba\n0.668445 0.667314 0.501812 Ba\n1.000000 0.337194 0.500000 Ba\n0.331555 0.998869 0.498188 Ba\n0.662204 0.332195 0.889422 Ir\n0.337796 0.669990 0.110578 Ir\n0.672393 0.337842 0.612094 Ir\n0.327607 0.665449 0.387906 Ir\n0.989269 0.994710 0.544325 Ir\n0.010731 0.005440 0.455675 Ir\n0.665707 0.331150 0.523949 Ir\n0.334293 0.665443 0.476051 Ir\n0.333993 0.669610 0.668624 Ir\n0.666007 0.335616 0.331376 Ir\n0.000081 0.999437 0.903320 Ir\n0.999919 0.999357 0.096680 Ir\n0.002171 0.000364 0.819102 Ir\n0.997829 0.998193 0.180898 Ir\n0.670211 0.332051 0.972908 Ir\n0.329789 0.661840 0.027092 Ir\n0.327631 0.660942 0.837055 Ir\n0.672369 0.333311 0.162945 Ir\n0.994687 0.992970 0.735563 Ir\n0.005313 0.998283 0.264437 Ir\n0.671305 0.339009 0.803844 Ir\n0.328695 0.667703 0.196156 Ir\n0.334579 0.667271 0.752626 Ir\n0.665421 0.332693 0.247374 Ir\n0.000000 0.978851 1.000000 Pd\n0.404994 0.740424 0.932402 Pd\n0.595006 0.335430 0.067598 Pd\n0.598702 0.263980 0.708003 Pd\n0.401298 0.665278 0.291997 Pd\n0.064184 0.066603 0.640195 Pd\n0.935816 0.002420 0.359805 Pd\n0.666196 0.313790 0.427490 Pd\n0.333804 0.647594 0.572510 Pd\n0.326878 0.814871 0.984819 O\n0.491165 0.676232 0.985123 O\n0.169624 0.489649 0.993766 O\n0.673122 0.487994 0.015181 O\n0.830376 0.320025 0.006234 O\n0.508835 0.185067 0.014877 O\n0.814674 0.325110 0.848721 O\n0.505092 0.179350 0.847753 O\n0.668342 0.491702 0.848326 O\n0.185326 0.510436 0.151279 O\n0.331658 0.823360 0.151674 O\n0.494908 0.674258 0.152247 O\n0.993081 0.144257 0.692720 O\n0.149590 0.002446 0.692658 O\n0.828716 0.819433 0.703920 O\n0.006919 0.151176 0.307280 O\n0.171284 0.990716 0.296080 O\n0.850410 0.852855 0.307342 O\n0.677034 0.189506 0.655790 O\n0.514100 0.326509 0.654506 O\n0.833255 0.511399 0.645224 O\n0.322966 0.512472 0.344210 O\n0.166745 0.678145 0.354776 O\n0.485900 0.812410 0.345494 O\n0.497941 0.824168 0.631286 O\n0.324650 0.512844 0.627566 O\n0.186087 0.683129 0.629617 O\n0.502059 0.326228 0.368714 O\n0.813913 0.497042 0.370383 O\n0.675350 0.188194 0.372434 O\n0.829804 0.341492 0.567388 O\n0.511691 0.167575 0.568347 O\n0.657008 0.481749 0.567274 O\n0.170196 0.511689 0.432612 O\n0.342992 0.824741 0.432726 O\n0.488309 0.655885 0.431653 O\n0.998519 0.151476 0.587585 O\n0.140681 0.994845 0.587101 O\n0.816967 0.828957 0.575717 O\n0.001481 0.152957 0.412415 O\n0.183033 0.011990 0.424283 O\n0.859319 0.854164 0.412899 O\n0.328694 0.515042 0.517542 O\n0.180907 0.672023 0.513107 O\n0.489566 0.819850 0.514291 O\n0.671306 0.186348 0.482458 O\n0.510434 0.330284 0.485709 O\n0.819093 0.491117 0.486893 O\n0.000000 0.849448 0.500000 O\n0.849240 0.003987 0.497586 O\n0.150760 0.154747 0.502414 O\n0.841948 0.992395 0.941573 O\n0.151002 0.159130 0.941781 O\n0.007856 0.852433 0.944630 O\n0.158052 0.150447 0.058427 O\n0.992144 0.844576 0.055370 O\n0.848998 0.008128 0.058219 O\n0.995529 0.153854 0.860087 O\n0.162048 0.003228 0.859616 O\n0.843104 0.839833 0.859445 O\n0.004471 0.158325 0.139913 O\n0.156896 0.996729 0.140555 O\n0.837952 0.841180 0.140384 O\n0.831326 0.488517 0.929138 O\n0.658225 0.169124 0.929167 O\n0.508343 0.344124 0.930623 O\n0.168674 0.657191 0.070862 O\n0.491657 0.835781 0.069377 O\n0.341775 0.510899 0.070833 O\n0.332560 0.813868 0.879836 O\n0.478416 0.666081 0.880172 O\n0.159947 0.495164 0.867885 O\n0.667440 0.481308 0.120164 O\n0.840053 0.335217 0.132115 O\n0.521584 0.187665 0.119828 O\n0.840551 0.997366 0.779485 O\n0.159615 0.159724 0.778064 O\n0.006223 0.843867 0.779169 O\n0.159449 0.156814 0.220515 O\n0.993777 0.837644 0.220831 O\n0.840385 0.000109 0.221936 O\n0.663910 0.186288 0.761337 O\n0.524200 0.337836 0.759915 O\n0.838647 0.499265 0.772047 O\n0.336090 0.522378 0.238663 O\n0.161353 0.660618 0.227953 O\n0.475800 0.813637 0.240085 O\n0.490683 0.823179 0.794275 O\n0.329292 0.505930 0.792941 O\n0.182233 0.673962 0.793364 O\n0.509317 0.332496 0.205725 O\n0.817767 0.491730 0.206636 O\n0.670708 0.176638 0.207059 O\n0.341441 0.831160 0.712117 O\n0.487276 0.656235 0.711445 O\n0.168503 0.510916 0.711770 O\n0.658559 0.489718 0.287883 O\n0.831497 0.342413 0.288230 O\n0.512724 0.168959 0.288555 O\n","nsites":174,"nelements":4,"elements":["Ba","Ir","Pd","O"],"chemical_system":"Ba-Ir-O-Pd","density":7.667056819116377,"density_atomic":0.06216942163941618,"volume":2798.803582397843,"volume_molar":9.686660421144868,"formula_full":"Ba42 Ir24 Pd9 O99","formula_reduced":"Ba14Ir8(PdO11)3","formula_anonymous":"A3B8C14D33","energy":-1197.4169926,"energy_per_atom":-6.881706854022989,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1129.4039926,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.3163417,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.833000Z","spacegroup":5}]}