{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10214","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10212","results":[{"id":"mp-4697","created_at":"2022-09-04T14:40:35.466322Z","structure_string":"Zn2 Cr4 Se8\n1.0\n0.000000 5.302237 5.302237\n5.302237 0.000000 5.302237\n5.302237 5.302237 0.000000\nZn Cr Se\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Zn\n0.125000 0.125000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.364499 0.906503 0.364499 Se\n0.885501 0.885501 0.343497 Se\n0.343497 0.885501 0.885501 Se\n0.885501 0.885501 0.885501 Se\n0.906503 0.364499 0.364499 Se\n0.364499 0.364499 0.364499 Se\n0.364499 0.364499 0.906503 Se\n0.885501 0.343497 0.885501 Se\n","nsites":14,"nelements":3,"elements":["Zn","Cr","Se"],"chemical_system":"Cr-Se-Zn","density":5.405418922307757,"density_atomic":0.04695919377766751,"volume":298.13118313496284,"volume_molar":12.824199641314886,"formula_full":"Zn2 Cr4 Se8","formula_reduced":"Zn(CrSe2)2","formula_anonymous":"AB2C4","energy":-81.20822262,"energy_per_atom":-5.80058733,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.43222262,"band_gap":0.0388999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9995592,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.531000Z","spacegroup":227},{"id":"mp-567416","created_at":"2022-09-04T14:40:35.474067Z","structure_string":"Ho3 Mn3 Ga2 Si1\n1.0\n3.531241 -6.116288 0.000000\n3.531241 6.116288 0.000000\n0.000000 0.000000 3.926448\nHo Mn Ga Si\n3 3 2 1\ndirect\n0.407301 0.407301 0.500000 Ho\n0.000000 0.592699 0.500000 Ho\n0.592699 0.000000 0.500000 Ho\n0.000000 0.220240 0.000000 Mn\n0.779760 0.779760 0.000000 Mn\n0.220240 0.000000 0.000000 Mn\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.500000 Si\n","nsites":9,"nelements":4,"elements":["Ho","Mn","Ga","Si"],"chemical_system":"Ga-Ho-Mn-Si","density":8.09806394914355,"density_atomic":0.053063681581963264,"volume":169.60753064406987,"volume_molar":11.348893594384469,"formula_full":"Ho3 Mn3 Ga2 Si1","formula_reduced":"Ho3Mn3Ga2Si","formula_anonymous":"AB2C3D3","energy":-55.84797573,"energy_per_atom":-6.205330636666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.91897573,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.3510741,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.525000Z","spacegroup":189},{"id":"mp-23204","created_at":"2022-09-04T14:40:35.476343Z","structure_string":"Fe2 Cl6\n1.0\n6.635793 -2.965941 0.000000\n6.635793 2.965941 0.000000\n5.310133 0.000000 4.963169\nFe Cl\n2 6\ndirect\n0.333321 0.333321 0.333321 Fe\n0.666679 0.666679 0.666679 Fe\n0.693192 0.440334 0.066666 Cl\n0.440334 0.066666 0.693192 Cl\n0.933334 0.306808 0.559666 Cl\n0.559666 0.933334 0.306808 Cl\n0.306808 0.559666 0.933334 Cl\n0.066666 0.693192 0.440334 Cl\n","nsites":8,"nelements":2,"elements":["Fe","Cl"],"chemical_system":"Cl-Fe","density":2.7573776826129017,"density_atomic":0.0409492158982909,"volume":195.36393614642807,"volume_molar":14.706364036268024,"formula_full":"Fe2 Cl6","formula_reduced":"FeCl3","formula_anonymous":"AB3","energy":-36.76138591,"energy_per_atom":-4.59517323875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.07738591,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0138601,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.781000Z","spacegroup":148},{"id":"mp-1101702","created_at":"2022-09-04T14:40:35.483144Z","structure_string":"Nd8 Zr8 O24\n1.0\n6.150013 0.000000 0.000000\n0.000000 8.226357 0.000000\n0.000000 0.000000 11.316666\nNd Zr O\n8 8 24\ndirect\n0.260136 0.500000 0.356916 Nd\n0.241657 0.000000 0.392689 Nd\n0.258343 0.000000 0.892689 Nd\n0.239864 0.500000 0.856916 Nd\n0.741657 0.000000 0.107311 Nd\n0.760136 0.500000 0.143084 Nd\n0.758343 0.000000 0.607311 Nd\n0.739864 0.500000 0.643084 Nd\n0.250623 0.249609 0.124874 Zr\n0.250623 0.750391 0.124874 Zr\n0.249377 0.249609 0.624874 Zr\n0.249377 0.750391 0.624874 Zr\n0.750623 0.750391 0.375126 Zr\n0.750623 0.249609 0.375126 Zr\n0.749377 0.249609 0.875126 Zr\n0.749377 0.750391 0.875126 Zr\n0.000000 0.177170 0.000000 O\n0.000000 0.822830 0.000000 O\n0.000000 0.185961 0.500000 O\n0.000000 0.814039 0.500000 O\n0.004918 0.319052 0.253737 O\n0.004918 0.680948 0.253737 O\n0.259435 0.500000 0.564858 O\n0.226337 0.000000 0.685460 O\n0.273663 0.000000 0.185460 O\n0.240565 0.500000 0.064858 O\n0.495082 0.319052 0.753737 O\n0.495082 0.680948 0.753737 O\n0.500000 0.185961 0.000000 O\n0.500000 0.814039 0.000000 O\n0.500000 0.822830 0.500000 O\n0.500000 0.177170 0.500000 O\n0.504918 0.319052 0.246263 O\n0.504918 0.680948 0.246263 O\n0.759435 0.500000 0.935142 O\n0.726337 0.000000 0.814540 O\n0.773663 0.000000 0.314540 O\n0.740565 0.500000 0.435142 O\n0.995082 0.319052 0.746263 O\n0.995082 0.680948 0.746263 O\n","nsites":40,"nelements":3,"elements":["Nd","Zr","O"],"chemical_system":"Nd-O-Zr","density":6.577111695204162,"density_atomic":0.06986471737251028,"volume":572.5350578135857,"volume_molar":8.619716770470378,"formula_full":"Nd8 Zr8 O24","formula_reduced":"NdZrO3","formula_anonymous":"ABC3","energy":-363.26014788,"energy_per_atom":-9.081503696999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.77214788000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033811,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.611000Z","spacegroup":55},{"id":"mp-1211390","created_at":"2022-09-04T14:40:35.488599Z","structure_string":"Te7 As6\n1.0\n-7.019378 -12.157919 0.000000\n-6.250076 11.713762 0.000000\n0.000000 0.000000 -104.178726\nTe As\n7 6\ndirect\n-0.000000 -0.000000 0.000000 Te\n-0.000000 -0.000000 0.790310 Te\n-0.000000 -0.000000 0.209690 Te\n0.777969 0.768457 0.000000 Te\n0.222031 0.231543 -0.000000 Te\n0.009512 0.231543 0.000000 Te\n0.990488 0.768457 -0.000000 Te\n-0.000000 -0.000000 0.599549 As\n-0.000000 -0.000000 0.400451 As\n0.576331 0.588672 0.000000 As\n0.423669 0.411328 -0.000000 As\n0.987659 0.411328 0.000000 As\n0.012341 0.588672 -0.000000 As\n","nsites":13,"nelements":2,"elements":["Te","As"],"chemical_system":"As-Te","density":0.13527616444486873,"density_atomic":0.0007887274811353404,"volume":16482.24552958018,"volume_molar":763.526174000097,"formula_full":"Te7 As6","formula_reduced":"Te7As6","formula_anonymous":"A6B7","energy":-36.62877109,"energy_per_atom":-2.817597776153846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.67477109,"band_gap":0.2389999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9.9853768,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.359000Z","spacegroup":65},{"id":"mp-31115","created_at":"2022-09-04T14:40:35.489327Z","structure_string":"Er6 Ga2 O12\n1.0\n4.410028 -5.529913 0.000000\n4.410028 5.529913 0.000000\n0.000000 0.000000 5.396963\nEr Ga O\n6 2 12\ndirect\n0.398605 0.601395 0.070679 Er\n0.601395 0.398605 0.570679 Er\n0.911708 0.701490 0.021542 Er\n0.088292 0.298510 0.521542 Er\n0.298510 0.088292 0.021542 Er\n0.701490 0.911708 0.521542 Er\n0.193613 0.806387 0.491252 Ga\n0.806387 0.193613 0.991252 Ga\n0.215377 0.784623 0.831492 O\n0.784623 0.215377 0.331492 O\n0.038702 0.961298 0.342933 O\n0.961298 0.038702 0.842933 O\n0.677833 0.643058 0.295675 O\n0.322167 0.356942 0.795675 O\n0.356942 0.322167 0.295675 O\n0.643058 0.677833 0.795675 O\n0.575749 0.105986 0.809715 O\n0.424251 0.894014 0.309715 O\n0.894014 0.424251 0.809715 O\n0.105986 0.575749 0.309715 O\n","nsites":20,"nelements":3,"elements":["Er","Ga","O"],"chemical_system":"Er-Ga-O","density":8.421490031257248,"density_atomic":0.0759785347077439,"volume":263.23224153941936,"volume_molar":7.926108055603512,"formula_full":"Er6 Ga2 O12","formula_reduced":"Er3GaO6","formula_anonymous":"AB3C6","energy":-165.25459439,"energy_per_atom":-8.2627297195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-157.01059439,"band_gap":3.539,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008368,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.191000Z","spacegroup":36},{"id":"mp-558212","created_at":"2022-09-04T14:40:35.493677Z","structure_string":"K2 Na2 Nd2 Nb2 O10\n1.0\n5.788695 0.000000 0.000000\n0.000000 5.788695 0.000000\n0.000000 0.000000 8.387580\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.758846 Na\n0.000000 0.500000 0.241154 Na\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.000000 0.257491 Nb\n0.000000 0.500000 0.742509 Nb\n0.230842 0.730842 0.669946 O\n0.769158 0.269158 0.669946 O\n0.000000 0.500000 0.965617 O\n0.730842 0.769158 0.330054 O\n0.730842 0.230842 0.330054 O\n0.500000 0.000000 0.034383 O\n0.769158 0.730842 0.669946 O\n0.230842 0.269158 0.669946 O\n0.269158 0.769158 0.330054 O\n0.269158 0.230842 0.330054 O\n","nsites":18,"nelements":5,"elements":["K","Na","Nd","Nb","O"],"chemical_system":"K-Na-Nb-Nd-O","density":4.4811318084276355,"density_atomic":0.06404341683868495,"volume":281.0593326920564,"volume_molar":9.40321590768463,"formula_full":"K2 Na2 Nd2 Nb2 O10","formula_reduced":"KNaNdNbO5","formula_anonymous":"ABCDE5","energy":-138.19119717,"energy_per_atom":-7.677288731666668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.32119717,"band_gap":3.4434,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006742,"is_theoretical":false,"updated_at":"2021-11-28T01:35:07.881000Z","spacegroup":129},{"id":"mp-510657","created_at":"2022-09-04T14:40:35.500034Z","structure_string":"V1 Cu3 O4\n1.0\n-2.295607 2.295607 4.518777\n2.295607 -2.295607 4.518777\n2.295607 2.295607 -4.518777\nV Cu O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.750000 0.250000 0.500000 Cu\n0.111599 0.659470 0.000000 O\n0.340530 0.340530 0.452128 O\n0.888401 0.888401 0.547872 O\n0.659470 0.111599 0.000000 O\n","nsites":8,"nelements":3,"elements":["V","Cu","O"],"chemical_system":"Cu-O-V","density":5.327137674437762,"density_atomic":0.08398737453676912,"volume":95.25241197410752,"volume_molar":7.170292907969811,"formula_full":"V1 Cu3 O4","formula_reduced":"VCu3O4","formula_anonymous":"AB3C4","energy":-51.70454727,"energy_per_atom":-6.46306840875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.25654727,"band_gap":0.1102000000000007,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:02.103000Z","spacegroup":121},{"id":"mp-675540","created_at":"2022-09-04T14:40:35.468113Z","structure_string":"Ni3 Bi10 O20\n1.0\n5.007737 7.157627 0.000000\n-5.007737 7.157627 0.000000\n0.000000 7.011938 7.166842\nNi Bi O\n3 10 20\ndirect\n0.000416 0.999584 0.000000 Ni\n0.763948 0.809096 0.884871 Ni\n0.190904 0.236052 0.115129 Ni\n0.141131 0.489017 0.711159 Bi\n0.706060 0.330651 0.158533 Bi\n0.510983 0.858869 0.288841 Bi\n0.178317 0.155530 0.501251 Bi\n0.303102 0.663303 0.191716 Bi\n0.669349 0.293940 0.841467 Bi\n0.844470 0.821683 0.498749 Bi\n0.488265 0.140304 0.680642 Bi\n0.336697 0.696898 0.808284 Bi\n0.859696 0.511735 0.319358 Bi\n0.354345 0.369472 0.381852 O\n0.243323 0.746960 0.634561 O\n0.387958 0.001107 0.612048 O\n0.008606 0.373785 0.015956 O\n0.635044 0.613347 0.137616 O\n0.253040 0.756677 0.365439 O\n0.777421 0.009237 0.207434 O\n0.878666 0.632441 0.757102 O\n0.367559 0.121334 0.242898 O\n0.626215 0.991394 0.984044 O\n0.990763 0.222579 0.792566 O\n0.622904 0.878160 0.759932 O\n0.121840 0.377096 0.240068 O\n0.213797 0.993538 0.003984 O\n0.767550 0.264905 0.610853 O\n0.386653 0.364956 0.862384 O\n0.735095 0.232450 0.389147 O\n0.630528 0.645655 0.618148 O\n0.006462 0.786203 0.996016 O\n0.998893 0.612042 0.387952 O\n","nsites":33,"nelements":3,"elements":["Ni","Bi","O"],"chemical_system":"Bi-Ni-O","density":8.357718782720852,"density_atomic":0.06423112656771403,"volume":513.769596820174,"volume_molar":9.375735849271322,"formula_full":"Ni3 Bi10 O20","formula_reduced":"Ni3(BiO2)10","formula_anonymous":"A3B10C20","energy":-199.6973389,"energy_per_atom":-6.0514345121212125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.3343389,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9020539,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.062000Z","spacegroup":5},{"id":"mp-1205785","created_at":"2022-09-04T14:40:35.481010Z","structure_string":"Lu2 Mn4 Si2 C2\n1.0\n3.636529 0.000000 0.000000\n-1.818265 5.278577 0.000000\n0.000000 0.000000 6.957671\nLu Mn Si C\n2 4 2 2\ndirect\n0.457096 0.914191 0.250000 Lu\n0.542904 0.085809 0.750000 Lu\n0.167821 0.335641 0.060550 Mn\n0.832179 0.664359 0.939450 Mn\n0.832179 0.664359 0.560550 Mn\n0.167821 0.335641 0.439450 Mn\n0.736344 0.472688 0.250000 Si\n0.263656 0.527312 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":10,"nelements":4,"elements":["Lu","Mn","Si","C"],"chemical_system":"C-Lu-Mn-Si","density":8.080040080658828,"density_atomic":0.07487419992975422,"volume":133.55735365962963,"volume_molar":8.043011832713907,"formula_full":"Lu2 Mn4 Si2 C2","formula_reduced":"LuMn2SiC","formula_anonymous":"ABCD2","energy":-80.10712173,"energy_per_atom":-8.010712173,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.24912173000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0896845,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.661000Z","spacegroup":63},{"id":"mp-1199762","created_at":"2022-09-04T14:40:35.502888Z","structure_string":"Al36 P36 O144\n1.0\n0.036941 0.000000 -17.006216\n-9.362936 -16.230126 0.020390\n-9.362936 16.230126 0.020390\nAl P O\n36 36 144\ndirect\n0.871904 0.002409 0.576850 Al\n0.871904 0.576850 0.002409 Al\n0.866190 0.433071 0.433071 Al\n0.903335 0.169805 0.506099 Al\n0.903335 0.506099 0.169805 Al\n0.625798 0.999639 0.413429 Al\n0.625798 0.413429 0.999639 Al\n0.643501 0.168336 0.658474 Al\n0.643501 0.658474 0.168336 Al\n0.647574 0.329002 0.506638 Al\n0.647574 0.506638 0.329002 Al\n0.404204 0.010426 0.589650 Al\n0.404204 0.589650 0.010426 Al\n0.409422 0.426176 0.426176 Al\n0.372229 0.179847 0.504215 Al\n0.372229 0.504215 0.179847 Al\n0.152481 0.002408 0.424605 Al\n0.152481 0.424605 0.002408 Al\n0.136308 0.171148 0.669473 Al\n0.136308 0.669473 0.171148 Al\n0.126831 0.342863 0.503372 Al\n0.126831 0.503372 0.342863 Al\n0.886459 0.832672 0.336663 Al\n0.886459 0.336663 0.832672 Al\n0.898356 0.667694 0.504254 Al\n0.898356 0.504254 0.667694 Al\n0.644407 0.818105 0.489854 Al\n0.644407 0.489854 0.818105 Al\n0.390789 0.825966 0.338303 Al\n0.390789 0.338303 0.825966 Al\n0.374953 0.672116 0.495905 Al\n0.374953 0.495905 0.672116 Al\n0.131612 0.840587 0.505083 Al\n0.131612 0.505083 0.840587 Al\n0.620636 0.585746 0.585746 Al\n0.159838 0.578027 0.578027 Al\n0.811782 0.004705 0.417533 P\n0.811782 0.417533 0.004705 P\n0.828190 0.179155 0.666331 P\n0.828190 0.666331 0.179155 P\n0.835998 0.331553 0.510249 P\n0.835998 0.510249 0.331553 P\n0.561008 0.174181 0.504023 P\n0.561008 0.504023 0.174181 P\n0.593294 0.994984 0.583191 P\n0.593294 0.583191 0.994984 P\n0.595897 0.412711 0.412711 P\n0.341379 0.000513 0.421536 P\n0.341379 0.421536 0.000513 P\n0.321122 0.175960 0.669887 P\n0.321122 0.669887 0.175960 P\n0.310458 0.341641 0.503704 P\n0.310458 0.503704 0.341641 P\n0.091740 0.173973 0.504471 P\n0.091740 0.504471 0.173973 P\n0.061366 0.007769 0.580261 P\n0.061366 0.580261 0.007769 P\n0.049877 0.434624 0.434624 P\n0.831484 0.824316 0.500355 P\n0.831484 0.500355 0.824316 P\n0.578085 0.818392 0.325879 P\n0.578085 0.325879 0.818392 P\n0.561380 0.662682 0.486198 P\n0.561380 0.486198 0.662682 P\n0.323423 0.843544 0.510439 P\n0.323423 0.510439 0.843544 P\n0.077393 0.833393 0.333944 P\n0.077393 0.333944 0.833393 P\n0.086897 0.673992 0.507416 P\n0.086897 0.507416 0.673992 P\n0.804409 0.590449 0.590449 P\n0.343843 0.582208 0.582208 P\n0.848848 0.097685 0.664115 O\n0.848848 0.664115 0.097685 O\n0.847558 0.341515 0.433853 O\n0.847558 0.433853 0.341515 O\n0.973279 0.999495 0.557665 O\n0.973279 0.557665 0.999495 O\n0.964543 0.461512 0.461512 O\n0.814418 0.003114 0.498937 O\n0.814418 0.498937 0.003114 O\n0.804266 0.508020 0.508020 O\n0.855978 0.081244 0.428312 O\n0.855978 0.428312 0.081244 O\n0.881336 0.191446 0.606665 O\n0.881336 0.606665 0.191446 O\n0.872256 0.405277 0.587781 O\n0.872256 0.587781 0.405277 O\n0.877701 0.252722 0.493696 O\n0.877701 0.493696 0.252722 O\n0.840363 0.249669 0.754344 O\n0.840363 0.754344 0.249669 O\n0.004032 0.151842 0.495886 O\n0.004032 0.495886 0.151842 O\n0.573915 0.087240 0.428765 O\n0.573915 0.428765 0.087240 O\n0.725482 0.008782 0.394946 O\n0.725482 0.394946 0.008782 O\n0.611197 0.995143 0.503061 O\n0.611197 0.503061 0.995143 O\n0.612783 0.493019 0.493019 O\n0.631346 0.072603 0.654763 O\n0.631346 0.654763 0.072603 O\n0.632329 0.340799 0.419361 O\n0.632329 0.419361 0.340799 O\n0.587075 0.176450 0.584037 O\n0.587075 0.584037 0.176450 O\n0.608159 0.236328 0.491069 O\n0.608159 0.491069 0.236328 O\n0.742294 0.178596 0.639788 O\n0.742294 0.639788 0.178596 O\n0.747950 0.325658 0.524764 O\n0.747950 0.524764 0.325658 O\n0.376800 0.109618 0.667457 O\n0.376800 0.667457 0.109618 O\n0.366039 0.352470 0.445058 O\n0.366039 0.445058 0.352470 O\n0.504204 0.996240 0.597211 O\n0.504204 0.597211 0.996240 O\n0.506835 0.398028 0.398028 O\n0.384041 0.012581 0.499215 O\n0.384041 0.499215 0.012581 O\n0.352956 0.080181 0.417449 O\n0.352956 0.417449 0.080181 O\n0.335027 0.189498 0.596265 O\n0.335027 0.596265 0.189498 O\n0.323372 0.409486 0.594870 O\n0.323372 0.594870 0.409486 O\n0.324762 0.256156 0.493074 O\n0.324762 0.493074 0.256156 O\n0.335213 0.257210 0.750380 O\n0.335213 0.750380 0.257210 O\n0.473705 0.196985 0.511284 O\n0.473705 0.511284 0.196985 O\n0.136834 0.100060 0.435432 O\n0.136834 0.435432 0.100060 O\n0.252994 0.984553 0.425183 O\n0.252994 0.425183 0.984553 O\n0.109944 0.012159 0.513726 O\n0.109944 0.513726 0.012159 O\n0.106293 0.498615 0.498615 O\n0.077165 0.088900 0.661639 O\n0.077165 0.661639 0.088900 O\n0.065956 0.351875 0.431003 O\n0.065956 0.431003 0.351875 O\n0.121189 0.194828 0.590738 O\n0.121189 0.590738 0.194828 O\n0.104743 0.248090 0.493160 O\n0.104743 0.493160 0.248090 O\n0.235994 0.146748 0.667269 O\n0.235994 0.667269 0.146748 O\n0.225346 0.346391 0.478721 O\n0.225346 0.478721 0.346391 O\n0.842284 0.911788 0.575845 O\n0.842284 0.575845 0.911788 O\n0.850807 0.926269 0.348854 O\n0.850807 0.348854 0.926269 O\n0.846513 0.657435 0.579847 O\n0.846513 0.579847 0.657435 O\n0.862179 0.822888 0.422327 O\n0.862179 0.422327 0.822888 O\n0.879015 0.763917 0.515407 O\n0.879015 0.515407 0.763917 O\n0.987888 0.826496 0.322901 O\n0.987888 0.322901 0.826496 O\n0.999125 0.663980 0.519583 O\n0.999125 0.519583 0.663980 O\n0.588307 0.904839 0.336210 O\n0.588307 0.336210 0.904839 O\n0.575723 0.658101 0.565346 O\n0.575723 0.565346 0.658101 O\n0.627942 0.916291 0.576772 O\n0.627942 0.576772 0.916291 O\n0.619030 0.812107 0.396012 O\n0.619030 0.396012 0.812107 O\n0.606822 0.594860 0.412736 O\n0.606822 0.412736 0.594860 O\n0.587991 0.747488 0.502167 O\n0.587991 0.502167 0.747488 O\n0.615673 0.756657 0.243966 O\n0.615673 0.243966 0.756657 O\n0.744700 0.797615 0.488367 O\n0.744700 0.488367 0.797615 O\n0.353239 0.925679 0.583550 O\n0.353239 0.583550 0.925679 O\n0.376729 0.923893 0.346540 O\n0.376729 0.346540 0.923893 O\n0.357514 0.665439 0.586234 O\n0.357514 0.586234 0.665439 O\n0.360053 0.830189 0.429712 O\n0.360053 0.429712 0.830189 O\n0.347141 0.772362 0.524245 O\n0.347141 0.524245 0.772362 O\n0.490061 0.798228 0.324008 O\n0.490061 0.324008 0.798228 O\n0.473295 0.651901 0.465168 O\n0.473295 0.465168 0.651901 O\n0.106017 0.916065 0.343280 O\n0.106017 0.343280 0.916065 O\n0.134668 0.666949 0.574036 O\n0.134668 0.574036 0.666949 O\n0.088251 0.931618 0.585126 O\n0.088251 0.585126 0.931618 O\n0.099916 0.826850 0.409994 O\n0.099916 0.409994 0.826850 O\n0.111747 0.606668 0.420160 O\n0.111747 0.420160 0.606668 O\n0.102758 0.758961 0.518088 O\n0.102758 0.518088 0.758961 O\n0.116439 0.763757 0.257725 O\n0.116439 0.257725 0.763757 O\n0.233685 0.846816 0.505894 O\n0.233685 0.505894 0.846816 O\n0.718615 0.615973 0.615973 O\n0.402755 0.519610 0.519610 O\n0.258794 0.552861 0.552861 O\n","nsites":216,"nelements":3,"elements":["Al","P","O"],"chemical_system":"Al-O-P","density":1.410503454805189,"density_atomic":0.04179113563571236,"volume":5168.56019139663,"volume_molar":14.410091203297709,"formula_full":"Al36 P36 O144","formula_reduced":"AlPO4","formula_anonymous":"ABC4","energy":-1709.74697252,"energy_per_atom":-7.915495243148149,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1610.81897252,"band_gap":5.6258,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.25e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.050000Z","spacegroup":8},{"id":"mp-1198182","created_at":"2022-09-04T14:40:35.538425Z","structure_string":"Ca2 H24 S4 O18\n1.0\n5.815516 0.000000 0.000000\n0.407668 7.474072 0.000000\n1.582271 3.410266 10.715778\nCa H S O\n2 24 4 18\ndirect\n0.414652 0.107780 0.734765 Ca\n0.585348 0.892220 0.265235 Ca\n0.414283 0.168426 0.454744 H\n0.585717 0.831574 0.545256 H\n0.664656 0.217369 0.472871 H\n0.335344 0.782631 0.527129 H\n0.683674 0.155810 0.933679 H\n0.316326 0.844190 0.066321 H\n0.859341 0.152005 0.815494 H\n0.140659 0.847995 0.184506 H\n0.061784 0.435180 0.644779 H\n0.938216 0.564820 0.355221 H\n0.036364 0.274883 0.585977 H\n0.963636 0.725117 0.414023 H\n0.641816 0.464665 0.740345 H\n0.358184 0.535335 0.259655 H\n0.530747 0.532755 0.615368 H\n0.469253 0.467245 0.384632 H\n0.245050 0.726334 0.895223 H\n0.754950 0.273666 0.104777 H\n0.517494 0.726713 0.898283 H\n0.482506 0.273287 0.101717 H\n0.145032 0.315208 0.896593 H\n0.854968 0.684792 0.103407 H\n0.204233 0.121888 0.996483 H\n0.795767 0.878112 0.003517 H\n0.885345 0.605985 0.852598 S\n0.114655 0.394015 0.147402 S\n0.950396 0.800131 0.682003 S\n0.049604 0.199869 0.317997 S\n0.141624 0.921754 0.682889 O\n0.858376 0.078246 0.317111 O\n0.020231 0.700379 0.587101 O\n0.979769 0.299621 0.412899 O\n0.732621 0.911841 0.654155 O\n0.267379 0.088159 0.345845 O\n0.497520 0.232594 0.500019 O\n0.502480 0.767406 0.499981 O\n0.719286 0.090899 0.869234 O\n0.280714 0.909101 0.130766 O\n0.069437 0.297550 0.662778 O\n0.930563 0.702450 0.337222 O\n0.540393 0.424738 0.691164 O\n0.459607 0.575262 0.308836 O\n0.370817 0.796247 0.911157 O\n0.629183 0.203753 0.088843 O\n0.195273 0.184558 0.907241 O\n0.804727 0.815442 0.092759 O\n","nsites":48,"nelements":4,"elements":["Ca","H","S","O"],"chemical_system":"Ca-H-O-S","density":1.8560107370392869,"density_atomic":0.10305569524624189,"volume":465.767562727208,"volume_molar":5.8435788003862,"formula_full":"Ca2 H24 S4 O18","formula_reduced":"CaH12S2O9","formula_anonymous":"AB2C9D12","energy":-261.0529767,"energy_per_atom":-5.43860368125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-248.6869767,"band_gap":4.1309000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001622,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.198000Z","spacegroup":2}]}