{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12155","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=12153","results":[{"id":"mp-20628","created_at":"2022-09-04T14:48:28.694735Z","structure_string":"Na2 In2\n1.0\n0.000000 3.728903 3.728903\n3.728903 0.000000 3.728903\n3.728903 3.728903 0.000000\nNa In\n2 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 In\n","nsites":4,"nelements":2,"elements":["Na","In"],"chemical_system":"In-Na","density":4.413463524135089,"density_atomic":0.038573294857780493,"volume":103.69868622185312,"volume_molar":15.612202126376804,"formula_full":"Na2 In2","formula_reduced":"NaIn","formula_anonymous":"AB","energy":-8.68931282,"energy_per_atom":-2.172328205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.68931282,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.25e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:39.233000Z","spacegroup":227},{"id":"mp-1226814","created_at":"2022-09-04T14:48:29.044685Z","structure_string":"Ce2 Fe1 Si3\n1.0\n2.021004 -3.500482 0.000000\n2.021004 3.500482 0.000000\n0.000000 0.000000 8.121905\nCe Fe Si\n2 1 3\ndirect\n0.666667 0.333333 0.238647 Ce\n0.666667 0.333333 0.761353 Ce\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.000000 Si\n0.333333 0.666667 0.500000 Si\n","nsites":6,"nelements":3,"elements":["Ce","Fe","Si"],"chemical_system":"Ce-Fe-Si","density":6.073795684313872,"density_atomic":0.052211759335469066,"volume":114.91664093234289,"volume_molar":11.534069789349108,"formula_full":"Ce2 Fe1 Si3","formula_reduced":"Ce2FeSi3","formula_anonymous":"AB2C3","energy":-39.82484932,"energy_per_atom":-6.637474886666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.03784932,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.1118174,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.978000Z","spacegroup":187},{"id":"mp-1041732","created_at":"2022-09-04T14:48:28.578904Z","structure_string":"Cu6 Mo12 O42\n1.0\n9.249166 0.000000 0.000000\n0.000000 11.628689 -0.472604\n0.000000 -0.123643 10.628683\nCu Mo O\n6 12 42\ndirect\n0.932812 0.805668 0.411720 Cu\n0.067188 0.194332 0.588280 Cu\n0.431514 0.500000 0.250000 Cu\n0.932812 0.194332 0.088280 Cu\n0.568486 0.500000 0.750000 Cu\n0.067188 0.805668 0.911720 Cu\n0.207033 0.159218 0.291692 Mo\n0.752212 0.167832 0.380084 Mo\n0.247788 0.167832 0.880084 Mo\n0.792967 0.159218 0.791692 Mo\n0.294104 0.469120 0.960138 Mo\n0.752212 0.832168 0.119916 Mo\n0.705896 0.469120 0.460138 Mo\n0.247788 0.832168 0.619916 Mo\n0.294104 0.530880 0.539862 Mo\n0.705896 0.530880 0.039862 Mo\n0.792967 0.840782 0.708308 Mo\n0.207033 0.840782 0.208308 Mo\n0.790044 0.194230 0.958507 O\n0.789757 0.834131 0.285616 O\n0.830019 0.000000 0.750000 O\n0.872575 0.503277 0.102225 O\n0.359298 0.945189 0.590167 O\n0.928543 0.241291 0.714656 O\n0.336854 0.309481 0.936660 O\n0.127425 0.503277 0.602225 O\n0.712476 0.485733 0.875527 O\n0.359298 0.054811 0.909833 O\n0.712476 0.514267 0.624473 O\n0.429378 0.547365 0.875737 O\n0.917493 0.848059 0.032682 O\n0.071457 0.241291 0.214656 O\n0.663146 0.690519 0.063340 O\n0.336854 0.690519 0.563340 O\n0.928543 0.758709 0.785344 O\n0.640702 0.054811 0.409833 O\n0.209956 0.194230 0.458507 O\n0.570622 0.452635 0.124263 O\n0.372567 0.802583 0.266534 O\n0.287524 0.514267 0.124473 O\n0.082507 0.848059 0.532682 O\n0.287524 0.485733 0.375527 O\n0.872575 0.496723 0.397775 O\n0.570622 0.547365 0.375737 O\n0.127425 0.496723 0.897775 O\n0.627433 0.802583 0.766534 O\n0.627433 0.197417 0.733466 O\n0.082507 0.151941 0.967318 O\n0.071457 0.758709 0.285344 O\n0.790044 0.805770 0.541493 O\n0.169981 0.000000 0.250000 O\n0.210243 0.834131 0.785616 O\n0.640702 0.945189 0.090167 O\n0.917493 0.151941 0.467318 O\n0.209956 0.805770 0.041493 O\n0.789757 0.165869 0.214384 O\n0.429378 0.452635 0.624263 O\n0.663146 0.309481 0.436659 O\n0.210243 0.165869 0.714384 O\n0.372567 0.197417 0.233466 O\n","nsites":60,"nelements":3,"elements":["Cu","Mo","O"],"chemical_system":"Cu-Mo-O","density":3.203744378683817,"density_atomic":0.05251022017245596,"volume":1142.6347062142538,"volume_molar":11.46851173013914,"formula_full":"Cu6 Mo12 O42","formula_reduced":"CuMo2O7","formula_anonymous":"AB2C7","energy":-461.54475526,"energy_per_atom":-7.6924125876666665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-394.26675526,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999256,"is_theoretical":true,"updated_at":"2021-11-28T01:39:40.107000Z","spacegroup":13},{"id":"mp-1187567","created_at":"2022-09-04T14:48:28.584299Z","structure_string":"Tm1 Rh3\n1.0\n4.025173 0.000000 0.000000\n0.000000 4.025173 0.000000\n0.000000 0.000000 4.025173\nTm Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n","nsites":4,"nelements":2,"elements":["Tm","Rh"],"chemical_system":"Rh-Tm","density":12.162024458888373,"density_atomic":0.06133471317842219,"volume":65.21592411077283,"volume_molar":9.818486869713796,"formula_full":"Tm1 Rh3","formula_reduced":"TmRh3","formula_anonymous":"AB3","energy":-28.82043417,"energy_per_atom":-7.2051085425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.82043417,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.69e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:38.775000Z","spacegroup":221},{"id":"mp-1208588","created_at":"2022-09-04T14:48:28.594328Z","structure_string":"Tb1 Ga4 Co8\n1.0\n-4.185288 4.185288 2.470422\n4.185288 -4.185288 2.470422\n4.185288 4.185288 -2.470422\nTb Ga Co\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Tb\n0.343778 0.000000 0.343778 Ga\n0.656222 0.000000 0.656222 Ga\n0.000000 0.343778 0.343778 Ga\n0.000000 0.656222 0.656222 Ga\n0.274945 0.500000 0.774945 Co\n0.725055 0.500000 0.225055 Co\n0.500000 0.274945 0.774945 Co\n0.500000 0.725055 0.225055 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n","nsites":13,"nelements":3,"elements":["Tb","Ga","Co"],"chemical_system":"Co-Ga-Tb","density":8.723008427032013,"density_atomic":0.07510373201815551,"volume":173.093928233252,"volume_molar":8.018430773246012,"formula_full":"Tb1 Ga4 Co8","formula_reduced":"Tb(GaCo2)4","formula_anonymous":"AB4C8","energy":-76.0017621,"energy_per_atom":-5.846289392307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.0017621,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.959234,"is_theoretical":true,"updated_at":"2021-11-28T01:39:18.932000Z","spacegroup":139},{"id":"mp-1246794","created_at":"2022-09-04T14:48:28.595507Z","structure_string":"Mg1 Cr4 S8\n1.0\n6.094111 -0.001568 3.514609\n2.029833 5.742908 3.514720\n-0.006836 -0.004703 7.041060\nMg Cr S\n1 4 8\ndirect\n0.124960 0.125147 0.124515 Mg\n0.508347 0.508669 0.507343 Cr\n0.507707 0.507842 0.977011 Cr\n0.976396 0.507509 0.507726 Cr\n0.507558 0.976019 0.507780 Cr\n0.744436 0.744251 0.744476 S\n0.264727 0.264601 0.706467 S\n0.264332 0.706698 0.264791 S\n0.706592 0.264317 0.264860 S\n0.744428 0.266560 0.744714 S\n0.266298 0.744449 0.744837 S\n0.264364 0.264218 0.264492 S\n0.744870 0.744714 0.265971 S\n","nsites":13,"nelements":3,"elements":["Mg","Cr","S"],"chemical_system":"Cr-Mg-S","density":3.290845020277818,"density_atomic":0.05270625221159566,"volume":246.6500548703391,"volume_molar":11.425856529930044,"formula_full":"Mg1 Cr4 S8","formula_reduced":"Mg(CrS2)4","formula_anonymous":"AB4C8","energy":-86.84001234,"energy_per_atom":-6.680000949230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.81601234,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0000187,"is_theoretical":true,"updated_at":"2021-11-28T01:39:18.433000Z","spacegroup":216},{"id":"mp-1179527","created_at":"2022-09-04T14:48:28.603015Z","structure_string":"Si20 H20 O30\n1.0\n8.569640 0.000000 0.000000\n4.203041 9.799979 0.000000\n4.110810 0.164724 11.553845\nSi H O\n20 20 30\ndirect\n0.807397 0.858247 0.868699 Si\n0.009000 0.712634 0.604325 Si\n0.169658 0.117979 0.125220 Si\n0.993866 0.343521 0.342624 Si\n0.137548 0.145260 0.667506 Si\n0.346514 0.449200 0.757338 Si\n0.021290 0.868897 0.225968 Si\n0.801224 0.591408 0.180901 Si\n0.471620 0.970790 0.772008 Si\n0.696336 0.493295 0.722628 Si\n0.605104 0.993229 0.208191 Si\n0.279779 0.495294 0.343762 Si\n0.661526 0.739326 0.540060 Si\n0.578707 0.755663 0.941495 Si\n0.384279 0.181147 0.471317 Si\n0.486233 0.320077 0.062117 Si\n0.259923 0.880920 0.475296 Si\n0.042424 0.628418 0.002903 Si\n0.746538 0.149807 0.527407 Si\n0.860618 0.371156 0.979933 Si\n0.850043 0.039961 0.908831 H\n0.291310 0.491496 0.585567 H\n0.383251 0.588996 0.873009 H\n0.557611 0.486269 0.341447 H\n0.724315 0.173690 0.139008 H\n0.483940 0.262954 0.286481 H\n0.464872 0.658399 0.467948 H\n0.238629 0.728591 0.002537 H\n0.091452 0.160005 0.931134 H\n0.752132 0.388134 0.510160 H\n0.031219 0.884653 0.698218 H\n0.918239 0.159810 0.299349 H\n0.301551 0.903462 0.647589 H\n0.052221 0.464802 0.892625 H\n0.768584 0.049408 0.364143 H\n0.860360 0.351667 0.171973 H\n0.450088 0.758837 0.729625 H\n0.793888 0.544722 0.852290 H\n0.375267 0.000964 0.386238 H\n0.324589 0.541944 0.141034 H\n0.763681 0.021432 0.884933 O\n0.244093 0.549471 0.653311 O\n0.115454 0.979649 0.156409 O\n0.907364 0.489113 0.274077 O\n0.266096 0.078030 0.757567 O\n0.429077 0.570932 0.787861 O\n0.810070 0.948842 0.221513 O\n0.431365 0.542732 0.372873 O\n0.413091 0.869015 0.889828 O\n0.693122 0.580102 0.596242 O\n0.598349 0.183822 0.164106 O\n0.403719 0.308345 0.362426 O\n0.456656 0.745455 0.493849 O\n0.236431 0.636248 0.009237 O\n0.537963 0.177609 0.525549 O\n0.676634 0.344402 0.991537 O\n0.952344 0.777808 0.944330 O\n0.125981 0.794192 0.507436 O\n0.007948 0.204045 0.004937 O\n0.783902 0.329635 0.444681 O\n0.963785 0.821987 0.725717 O\n0.978680 0.223928 0.240682 O\n0.196415 0.955139 0.617206 O\n0.140847 0.512950 0.884195 O\n0.850877 0.074712 0.387548 O\n0.810059 0.427903 0.120389 O\n0.488176 0.826667 0.674679 O\n0.707000 0.613497 0.813302 O\n0.472613 0.052281 0.364147 O\n0.383090 0.461015 0.184165 O\n","nsites":70,"nelements":3,"elements":["Si","H","O"],"chemical_system":"H-O-Si","density":1.8171816216770071,"density_atomic":0.07214126938741344,"volume":970.3183849467025,"volume_molar":8.347705565949868,"formula_full":"Si20 H20 O30","formula_reduced":"Si2H2O3","formula_anonymous":"A2B2C3","energy":-431.20801454,"energy_per_atom":-6.160114493428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.01801454,"band_gap":1.6829,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021025,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.178000Z","spacegroup":1},{"id":"mp-1183892","created_at":"2022-09-04T14:48:28.607896Z","structure_string":"Eu2 Cl4\n1.0\n6.719512 0.000000 0.000000\n0.000000 6.719512 0.000000\n0.000000 0.000000 4.425397\nEu Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.303888 0.303888 0.000000 Cl\n0.696112 0.696112 0.000000 Cl\n0.196112 0.803888 0.500000 Cl\n0.803888 0.196112 0.500000 Cl\n","nsites":6,"nelements":2,"elements":["Eu","Cl"],"chemical_system":"Cl-Eu","density":3.7042731301581013,"density_atomic":0.03002780214161655,"volume":199.8148239988699,"volume_molar":20.055216600930347,"formula_full":"Eu2 Cl4","formula_reduced":"EuCl2","formula_anonymous":"AB2","energy":-44.58163304,"energy_per_atom":-7.430272173333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.12563304,"band_gap":1.2108999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.9995491,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.215000Z","spacegroup":136},{"id":"mp-1102874","created_at":"2022-09-04T14:48:28.610262Z","structure_string":"Ca3 Cl2 O6\n1.0\n3.244631 -5.619866 0.000000\n3.244631 5.619866 0.000000\n0.000000 0.000000 5.827381\nCa Cl O\n3 2 6\ndirect\n0.327349 0.327349 0.013116 Ca\n0.672651 0.000000 0.013116 Ca\n0.000000 0.672651 0.013116 Ca\n0.333333 0.666667 0.507955 Cl\n0.666667 0.333333 0.507955 Cl\n0.000000 0.000000 0.850308 O\n0.333333 0.666667 0.790840 O\n0.666667 0.333333 0.790840 O\n0.661815 0.661815 0.146647 O\n0.338185 0.000000 0.146647 O\n0.000000 0.338185 0.146647 O\n","nsites":11,"nelements":3,"elements":["Ca","Cl","O"],"chemical_system":"Ca-Cl-O","density":2.2435857122394443,"density_atomic":0.05176044509853144,"volume":212.51749244158054,"volume_molar":11.634638667685765,"formula_full":"Ca3 Cl2 O6","formula_reduced":"Ca3(ClO3)2","formula_anonymous":"A2B3C6","energy":-57.24934787,"energy_per_atom":-5.20448617,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.12734787,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0038157,"is_theoretical":false,"updated_at":"2021-11-28T01:39:44.605000Z","spacegroup":157},{"id":"mp-757458","created_at":"2022-09-04T14:48:28.627881Z","structure_string":"Tl8 Os8 O27\n1.0\n7.374238 0.000000 0.000000\n0.000000 7.374238 0.000000\n0.000000 0.000000 10.442772\nTl Os O\n8 8 27\ndirect\n0.249071 0.500000 0.627401 Tl\n0.750929 0.500000 0.627401 Tl\n0.000000 0.763263 0.882413 Tl\n0.000000 0.236737 0.882413 Tl\n0.763263 0.000000 0.117587 Tl\n0.236737 0.000000 0.117587 Tl\n0.500000 0.249071 0.372599 Tl\n0.500000 0.750929 0.372599 Tl\n0.249755 0.000000 0.623946 Os\n0.750245 0.000000 0.623946 Os\n0.500000 0.750190 0.874013 Os\n0.500000 0.249810 0.874013 Os\n0.750190 0.500000 0.125987 Os\n0.249810 0.500000 0.125987 Os\n0.000000 0.750245 0.376054 Os\n0.000000 0.249755 0.376054 Os\n0.000000 0.000000 0.673530 O\n0.000000 0.500000 0.748453 O\n0.687459 0.194505 0.746083 O\n0.312541 0.805495 0.746083 O\n0.312541 0.194505 0.746083 O\n0.687459 0.805495 0.746083 O\n0.500000 0.500000 0.799222 O\n0.500000 0.000000 0.930475 O\n0.683698 0.316302 0.000000 O\n0.316302 0.316302 0.000000 O\n0.316302 0.683698 0.000000 O\n0.683698 0.683698 0.000000 O\n0.000000 0.500000 0.069525 O\n0.500000 0.500000 0.200778 O\n0.500000 0.000000 0.251547 O\n0.805495 0.687459 0.253917 O\n0.194505 0.312541 0.253917 O\n0.805495 0.312541 0.253917 O\n0.194505 0.687459 0.253917 O\n0.000000 0.000000 0.326470 O\n0.000000 0.500000 0.447970 O\n0.500000 0.500000 0.500000 O\n0.198750 0.198750 0.500000 O\n0.198750 0.801250 0.500000 O\n0.801250 0.198750 0.500000 O\n0.801250 0.801250 0.500000 O\n0.500000 0.000000 0.552030 O\n","nsites":43,"nelements":3,"elements":["Tl","Os","O"],"chemical_system":"O-Os-Tl","density":10.494437675486777,"density_atomic":0.07572135193015261,"volume":567.871530340139,"volume_molar":7.953028579778901,"formula_full":"Tl8 Os8 O27","formula_reduced":"Tl8Os8O27","formula_anonymous":"A8B8C27","energy":-300.93581752,"energy_per_atom":-6.998507384186047,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.38681752,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012219,"is_theoretical":true,"updated_at":"2021-11-28T01:39:51.849000Z","spacegroup":115},{"id":"mp-767204","created_at":"2022-09-04T14:48:28.584103Z","structure_string":"Li4 V2 Si12 O30\n1.0\n12.687732 0.000000 0.000000\n0.000000 6.870996 0.000000\n0.000000 2.638648 6.963082\nLi V Si O\n4 2 12 30\ndirect\n0.661430 0.857701 0.458555 Li\n0.835454 0.831747 0.158881 Li\n0.335454 0.168253 0.841119 Li\n0.161430 0.142299 0.541445 Li\n0.249650 0.738626 0.757034 V\n0.749650 0.261374 0.242966 V\n0.332938 0.968724 0.308078 Si\n0.155802 0.992572 0.023832 Si\n0.487815 0.700438 0.916415 Si\n0.990150 0.690696 0.704531 Si\n0.657246 0.468856 0.800841 Si\n0.334043 0.508894 0.477311 Si\n0.834043 0.491106 0.522689 Si\n0.157246 0.531144 0.199159 Si\n0.490150 0.309304 0.295469 Si\n0.987815 0.299562 0.083585 Si\n0.655802 0.007428 0.976168 Si\n0.832938 0.031276 0.691922 Si\n0.192021 0.993074 0.814608 O\n0.764421 0.927173 0.894256 O\n0.560101 0.843891 0.001342 O\n0.264962 0.962094 0.491350 O\n0.946345 0.911054 0.714937 O\n0.383173 0.830727 0.819418 O\n0.115894 0.698710 0.670825 O\n0.363800 0.734048 0.317908 O\n0.223949 0.546197 0.011401 O\n0.559283 0.638688 0.757257 O\n0.116508 0.766531 0.177544 O\n0.958742 0.515054 0.909546 O\n0.929464 0.651337 0.524690 O\n0.316333 0.501263 0.694779 O\n0.724048 0.572313 0.597111 O\n0.224048 0.427687 0.402889 O\n0.816333 0.498737 0.305221 O\n0.429464 0.348663 0.475310 O\n0.458742 0.484946 0.090454 O\n0.616508 0.233469 0.822456 O\n0.059283 0.361312 0.242743 O\n0.723949 0.453803 0.988599 O\n0.863800 0.265952 0.682092 O\n0.615894 0.301290 0.329175 O\n0.883173 0.169273 0.180582 O\n0.446345 0.088946 0.285063 O\n0.764962 0.037906 0.508650 O\n0.060101 0.156109 0.998658 O\n0.264421 0.072827 0.105744 O\n0.692021 0.006926 0.185392 O\n","nsites":48,"nelements":4,"elements":["Li","V","Si","O"],"chemical_system":"Li-O-Si-V","density":2.5896175439269826,"density_atomic":0.07907442370612189,"volume":607.0230771253016,"volume_molar":7.615788364618547,"formula_full":"Li4 V2 Si12 O30","formula_reduced":"Li2V(Si2O5)3","formula_anonymous":"AB2C6D15","energy":-384.4217402,"energy_per_atom":-8.008786254166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.4117402,"band_gap":2.0913,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0073593,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.260000Z","spacegroup":4},{"id":"mp-1209040","created_at":"2022-09-04T14:48:28.614722Z","structure_string":"Sm12 Sc8 Al12 O48\n1.0\n-6.290805 6.290805 6.290805\n6.290805 -6.290805 6.290805\n6.290805 6.290805 -6.290805\nSm Sc Al O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Sm\n0.750000 0.625000 0.875000 Sm\n0.750000 0.125000 0.375000 Sm\n0.125000 0.250000 0.375000 Sm\n0.375000 0.750000 0.125000 Sm\n0.250000 0.875000 0.625000 Sm\n0.875000 0.750000 0.625000 Sm\n0.625000 0.250000 0.875000 Sm\n0.375000 0.125000 0.250000 Sm\n0.625000 0.875000 0.750000 Sm\n0.125000 0.375000 0.750000 Sm\n0.875000 0.625000 0.250000 Sm\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.250000 0.625000 0.375000 Al\n0.750000 0.375000 0.625000 Al\n0.750000 0.875000 0.125000 Al\n0.375000 0.250000 0.625000 Al\n0.625000 0.750000 0.375000 Al\n0.250000 0.125000 0.875000 Al\n0.125000 0.750000 0.875000 Al\n0.875000 0.250000 0.125000 Al\n0.625000 0.375000 0.250000 Al\n0.375000 0.625000 0.750000 Al\n0.875000 0.125000 0.750000 Al\n0.125000 0.875000 0.250000 Al\n0.477987 0.376934 0.289270 O\n0.522013 0.623066 0.710730 O\n0.587664 0.188718 0.210730 O\n0.912336 0.123066 0.601054 O\n0.289270 0.477987 0.376934 O\n0.311282 0.912336 0.289270 O\n0.412336 0.811282 0.789270 O\n0.087664 0.876934 0.398946 O\n0.710730 0.522013 0.623066 O\n0.688718 0.087664 0.710730 O\n0.022013 0.311282 0.898946 O\n0.210731 0.587664 0.188718 O\n0.123066 0.022013 0.210730 O\n0.977987 0.688718 0.101054 O\n0.789270 0.412336 0.811282 O\n0.876934 0.977987 0.789270 O\n0.601054 0.912336 0.123066 O\n0.188718 0.477987 0.601054 O\n0.398946 0.087664 0.876934 O\n0.811282 0.522013 0.398946 O\n0.898946 0.022013 0.311282 O\n0.376934 0.587664 0.898946 O\n0.101054 0.977987 0.688718 O\n0.623066 0.412336 0.101054 O\n0.376934 0.289270 0.477987 O\n0.587664 0.898946 0.376934 O\n0.623066 0.710730 0.522013 O\n0.412336 0.101054 0.623066 O\n0.123066 0.601054 0.912336 O\n0.022013 0.210730 0.123066 O\n0.876934 0.398946 0.087664 O\n0.977987 0.789269 0.876934 O\n0.311282 0.898946 0.022013 O\n0.912336 0.289270 0.311282 O\n0.688718 0.101054 0.977987 O\n0.087664 0.710730 0.688718 O\n0.188718 0.210730 0.587664 O\n0.477987 0.601054 0.188718 O\n0.811282 0.789270 0.412336 O\n0.522013 0.398946 0.811282 O\n0.289270 0.311282 0.912336 O\n0.710730 0.688718 0.087664 O\n0.210730 0.123066 0.022013 O\n0.789270 0.876934 0.977987 O\n0.898946 0.376934 0.587664 O\n0.101054 0.623066 0.412336 O\n0.601054 0.188718 0.477987 O\n0.398946 0.811282 0.522013 O\n","nsites":80,"nelements":4,"elements":["Sm","Sc","Al","O"],"chemical_system":"Al-O-Sc-Sm","density":5.428965452880878,"density_atomic":0.08033620750068585,"volume":995.8149941210136,"volume_molar":7.496172581894146,"formula_full":"Sm12 Sc8 Al12 O48","formula_reduced":"Sm3Sc2Al3O12","formula_anonymous":"A2B3C3D12","energy":-692.85221036,"energy_per_atom":-8.6606526295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-659.87621036,"band_gap":4.316,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0070327,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.014000Z","spacegroup":230}]}