{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=83","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=81","results":[{"id":"mp-1207192","created_at":"2022-09-04T14:47:27.849521Z","structure_string":"Nd2 H2 Se2\n1.0\n2.007696 -3.477432 0.000000\n2.007696 3.477432 0.000000\n0.000000 0.000000 8.009414\nNd H Se\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n","nsites":6,"nelements":3,"elements":["Nd","H","Se"],"chemical_system":"H-Nd-Se","density":6.658043332670056,"density_atomic":0.0536492817616045,"volume":111.83747112704229,"volume_molar":11.225016556158076,"formula_full":"Nd2 H2 Se2","formula_reduced":"NdHSe","formula_anonymous":"ABC","energy":-33.15467332,"energy_per_atom":-5.525778886666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.85267332,"band_gap":1.6838000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.209000Z","spacegroup":194},{"id":"mp-1202148","created_at":"2022-09-04T14:48:11.419682Z","structure_string":"B2 P8 H72 Rh2 C72 F40\n1.0\n11.547376 0.003501 -4.166052\n-3.176035 11.953724 -3.248695\n0.002406 0.000166 16.051324\nB P H Rh C F\n2 8 72 2 72 40\ndirect\n0.394684 0.671727 0.744277 B\n0.605316 0.328273 0.255723 B\n0.833992 0.124473 0.866671 P\n0.166008 0.875527 0.133329 P\n0.893220 0.384722 0.744181 P\n0.106780 0.615278 0.255819 P\n0.095041 0.278323 0.884504 P\n0.904959 0.721677 0.115496 P\n0.774112 0.106687 0.637026 P\n0.225888 0.893313 0.362974 P\n0.157415 0.225076 0.754485 H\n0.842585 0.774924 0.245515 H\n0.171227 0.371945 0.792797 H\n0.828773 0.628055 0.207203 H\n0.280445 0.314579 0.859028 H\n0.719555 0.685421 0.140972 H\n0.654707 0.192453 0.835612 H\n0.345293 0.807547 0.164388 H\n0.622762 0.051635 0.762790 H\n0.377238 0.948365 0.237210 H\n0.643498 0.079930 0.882504 H\n0.356502 0.920070 0.117496 H\n0.973331 0.587252 0.809205 H\n0.026669 0.412748 0.190795 H\n0.996134 0.523554 0.899122 H\n0.003866 0.476446 0.100878 H\n0.089380 0.516861 0.834085 H\n0.910620 0.483139 0.165915 H\n0.984349 0.398399 0.632871 H\n0.015651 0.601601 0.367129 H\n0.826029 0.343405 0.574342 H\n0.173971 0.656595 0.425658 H\n0.888049 0.489539 0.636022 H\n0.111951 0.510461 0.363978 H\n0.570437 0.129415 0.587885 H\n0.429563 0.870585 0.412115 H\n0.660110 0.212986 0.549528 H\n0.339890 0.787014 0.450472 H\n0.603633 0.066176 0.489145 H\n0.396367 0.933824 0.510855 H\n0.802184 0.956441 0.910549 H\n0.197816 0.043559 0.089451 H\n0.801466 0.923937 0.795407 H\n0.198534 0.076063 0.204593 H\n0.940183 0.981254 0.894428 H\n0.059817 0.018746 0.105572 H\n0.985909 0.209243 0.027107 H\n0.014091 0.790757 0.972893 H\n0.870650 0.281022 0.004699 H\n0.129350 0.718978 0.995301 H\n0.843439 0.150654 0.025472 H\n0.156561 0.849346 0.974528 H\n0.891239 0.180146 0.558452 H\n0.108761 0.819854 0.441548 H\n0.953073 0.082347 0.609044 H\n0.046927 0.917653 0.390956 H\n0.823262 0.033271 0.501978 H\n0.176738 0.966729 0.498022 H\n0.270218 0.400490 0.022620 H\n0.729782 0.599510 0.977380 H\n0.164371 0.476147 0.980509 H\n0.835629 0.523853 0.019491 H\n0.137375 0.388057 0.045605 H\n0.862625 0.611943 0.954395 H\n0.246245 0.189598 0.957690 H\n0.753755 0.810402 0.042310 H\n0.112012 0.148868 0.974024 H\n0.887988 0.851132 0.025976 H\n0.118942 0.088915 0.862940 H\n0.881058 0.911085 0.137060 H\n0.674585 0.345780 0.684229 H\n0.325415 0.654220 0.315771 H\n0.742041 0.416942 0.807293 H\n0.257959 0.583058 0.192707 H\n0.743045 0.492526 0.727776 H\n0.256955 0.507474 0.272224 H\n0.674659 0.911204 0.542173 H\n0.325341 0.088796 0.457827 H\n0.795071 0.923582 0.648118 H\n0.204929 0.076418 0.351882 H\n0.655099 0.945105 0.650354 H\n0.344901 0.054895 0.349646 H\n0.898271 0.224542 0.785378 Rh\n0.101729 0.775458 0.214622 Rh\n0.412574 0.657133 0.917399 C\n0.587426 0.342867 0.082601 C\n0.506841 0.679862 0.706910 C\n0.493159 0.320138 0.293090 C\n0.528233 0.808362 0.062616 C\n0.471767 0.191638 0.937384 C\n0.514734 0.824083 0.913444 C\n0.485266 0.175917 0.086556 C\n0.716685 0.693254 0.723277 C\n0.283315 0.306746 0.276723 C\n0.338554 0.850449 0.688957 C\n0.661446 0.149551 0.311043 C\n0.309472 0.758748 0.717161 C\n0.690528 0.241252 0.282839 C\n0.685213 0.672420 0.627610 C\n0.314787 0.327580 0.372390 C\n0.205234 0.753546 0.735686 C\n0.794766 0.246454 0.264314 C\n0.230879 0.297982 0.600179 C\n0.769121 0.702018 0.399821 C\n0.480678 0.658226 0.610987 C\n0.519322 0.341774 0.389013 C\n0.454196 0.700396 0.015252 C\n0.545804 0.299604 0.984748 C\n0.165124 0.371855 0.572269 C\n0.834876 0.628145 0.427731 C\n0.271496 0.929256 0.679102 C\n0.728504 0.070744 0.320898 C\n0.212597 0.487281 0.617585 C\n0.787403 0.512719 0.382415 C\n0.134802 0.829535 0.726316 C\n0.865198 0.170465 0.273684 C\n0.564927 0.654671 0.570650 C\n0.435073 0.345329 0.429350 C\n0.557418 0.871617 0.010529 C\n0.442582 0.128383 0.989471 C\n0.386681 0.456441 0.716915 C\n0.613319 0.543559 0.283085 C\n0.168303 0.918553 0.697384 C\n0.831697 0.081447 0.302616 C\n0.343772 0.341210 0.673126 C\n0.656228 0.658790 0.326874 C\n0.442640 0.714975 0.861630 C\n0.557360 0.285025 0.138370 C\n0.324691 0.535550 0.692805 C\n0.675309 0.464450 0.307195 C\n0.628675 0.695953 0.760248 C\n0.371325 0.304047 0.239752 C\n0.184665 0.299751 0.816252 C\n0.815335 0.700249 0.183748 C\n0.673267 0.110651 0.833845 C\n0.326733 0.889349 0.166155 C\n0.998194 0.515890 0.830027 C\n0.001806 0.484110 0.169973 C\n0.898023 0.405653 0.636518 C\n0.101977 0.594347 0.363482 C\n0.639128 0.131102 0.558268 C\n0.360872 0.868898 0.441732 C\n0.845699 0.982976 0.867037 C\n0.154301 0.017024 0.132963 C\n0.889040 0.198239 0.993144 C\n0.110960 0.801761 0.006856 C\n0.869365 0.100091 0.569907 C\n0.130635 0.899909 0.430093 C\n0.174341 0.397344 0.993684 C\n0.825659 0.602656 0.006316 C\n0.148076 0.165286 0.923417 C\n0.851924 0.834714 0.076583 C\n0.749414 0.412607 0.740293 C\n0.250586 0.587393 0.259707 C\n0.719267 0.957309 0.617748 C\n0.280733 0.042691 0.382252 C\n0.338267 0.551887 0.878799 F\n0.661733 0.448113 0.121201 F\n0.142873 0.551709 0.582269 F\n0.857127 0.448291 0.417731 F\n0.629157 0.977458 0.055128 F\n0.370843 0.022542 0.944872 F\n0.498032 0.492447 0.787620 F\n0.501968 0.507553 0.212380 F\n0.833259 0.710048 0.780143 F\n0.166741 0.289952 0.219857 F\n0.670893 0.714897 0.854405 F\n0.329107 0.285103 0.145595 F\n0.549996 0.890751 0.868221 F\n0.450004 0.109249 0.131779 F\n0.168865 0.670808 0.767133 F\n0.831135 0.329192 0.232867 F\n0.439300 0.871195 0.670897 F\n0.560700 0.128805 0.329103 F\n0.056647 0.330526 0.499238 F\n0.943353 0.669474 0.500762 F\n0.307726 0.017229 0.653507 F\n0.692274 0.982771 0.346493 F\n0.422449 0.638250 0.064507 F\n0.577551 0.361750 0.935493 F\n0.365027 0.639043 0.550248 F\n0.634973 0.360957 0.449752 F\n0.571956 0.850740 0.157000 F\n0.428044 0.149260 0.843000 F\n0.531690 0.634349 0.477065 F\n0.468310 0.365651 0.522935 F\n0.410509 0.270541 0.699689 F\n0.589491 0.729459 0.300310 F\n0.769415 0.669139 0.591271 F\n0.230585 0.330861 0.408729 F\n0.102374 0.994509 0.688928 F\n0.897626 0.005491 0.311072 F\n0.035768 0.819306 0.746521 F\n0.964232 0.180694 0.253479 F\n0.186396 0.186241 0.555978 F\n0.813604 0.813759 0.444022 F\n","nsites":196,"nelements":6,"elements":["B","P","H","Rh","C","F"],"chemical_system":"B-C-F-H-P-Rh","density":1.6279896458212915,"density_atomic":0.08845014852262185,"volume":2215.9374887863687,"volume_molar":6.808514016751243,"formula_full":"B2 P8 H72 Rh2 C72 F40","formula_reduced":"BP4H36Rh(C9F5)4","formula_anonymous":"ABC4D20E36F36","energy":-1162.74356757,"energy_per_atom":-5.932365140663266,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1144.26356757,"band_gap":2.5166,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:25.872000Z","spacegroup":2},{"id":"mp-1233325","created_at":"2022-09-04T14:47:57.376105Z","structure_string":"Ca1 Er4 Zr4 O14\n1.0\n2.911646 0.000000 2.066121\n-0.473522 7.795728 13.068017\n-0.473522 0.000000 13.068017\nCa Er Zr O\n1 4 4 14\ndirect\n0.197791 0.500000 0.648156 Ca\n0.949644 0.208051 0.069366 Er\n0.976237 0.000000 0.512329 Er\n0.949644 0.791949 0.485467 Er\n0.113057 0.500000 0.442379 Er\n0.019723 0.000000 0.989419 Zr\n0.030973 0.500000 0.985762 Zr\n0.009657 0.227498 0.517369 Zr\n0.009657 0.772502 0.972365 Zr\n0.268231 0.000000 0.115228 O\n0.203643 0.242098 0.157273 O\n0.236855 0.000000 0.631632 O\n0.336532 0.500000 0.082159 O\n0.229609 0.229293 0.655478 O\n0.229609 0.770707 0.114065 O\n0.703871 0.258476 0.389770 O\n0.770603 0.000000 0.864489 O\n0.824465 0.500000 0.337274 O\n0.740986 0.311779 0.815815 O\n0.740986 0.688221 0.439373 O\n0.203643 0.757902 0.641468 O\n0.818571 0.500000 0.841225 O\n0.703871 0.741524 0.906722 O\n","nsites":23,"nelements":4,"elements":["Ca","Er","Zr","O"],"chemical_system":"Ca-Er-O-Zr","density":7.084246310833734,"density_atomic":0.07559571228365027,"volume":304.25006002588333,"volume_molar":7.966246468323125,"formula_full":"Ca1 Er4 Zr4 O14","formula_reduced":"CaEr4Zr4O14","formula_anonymous":"AB4C4D14","energy":-203.29319134,"energy_per_atom":-8.838834406086956,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.67519134,"band_gap":0.5124000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.193000Z","spacegroup":25},{"id":"mp-708965","created_at":"2022-09-04T14:48:01.310431Z","structure_string":"H32 C12 N16 O16\n1.0\n8.708945 0.000000 0.000000\n0.000000 8.587950 0.000000\n0.000000 0.153344 10.166033\nH C N O\n32 12 16 16\ndirect\n0.467864 0.318959 0.414314 H\n0.967864 0.181041 0.585686 H\n0.532136 0.681041 0.585686 H\n0.032136 0.818959 0.414314 H\n0.455823 0.228440 0.575714 H\n0.955823 0.271560 0.424286 H\n0.544177 0.771560 0.424286 H\n0.044177 0.728440 0.575714 H\n0.609852 0.361801 0.536331 H\n0.109852 0.138199 0.463669 H\n0.390148 0.638199 0.463669 H\n0.890148 0.861801 0.536331 H\n0.667362 0.005098 0.118124 H\n0.167362 0.494902 0.881876 H\n0.332638 0.994902 0.881876 H\n0.832638 0.505098 0.118124 H\n0.825752 0.874605 0.161743 H\n0.325752 0.625395 0.838257 H\n0.174248 0.125395 0.838257 H\n0.674248 0.374605 0.161743 H\n0.293134 0.280030 0.235451 H\n0.793134 0.219970 0.764549 H\n0.706866 0.719970 0.764549 H\n0.206866 0.780030 0.235451 H\n0.293732 0.070526 0.220026 H\n0.793732 0.429474 0.779974 H\n0.706268 0.929474 0.779974 H\n0.206268 0.570526 0.220026 H\n0.340147 0.195776 0.080481 H\n0.840147 0.304224 0.919519 H\n0.659853 0.804224 0.919519 H\n0.159853 0.695776 0.080481 H\n0.773604 0.989600 0.174507 C\n0.273604 0.510400 0.825493 C\n0.226396 0.010400 0.825493 C\n0.726396 0.489600 0.174507 C\n0.532317 0.272463 0.498390 C\n0.032317 0.227537 0.501610 C\n0.467683 0.727537 0.501610 C\n0.967683 0.772463 0.498390 C\n0.271294 0.181938 0.170303 C\n0.771294 0.318062 0.829697 C\n0.728706 0.818062 0.829697 C\n0.228706 0.681938 0.170303 C\n0.628348 0.139816 0.458104 N\n0.128348 0.360184 0.541896 N\n0.371652 0.860184 0.541896 N\n0.871652 0.639816 0.458104 N\n0.108000 0.194024 0.131613 N\n0.608000 0.305976 0.868387 N\n0.892000 0.805976 0.868387 N\n0.392000 0.694024 0.131613 N\n0.644007 0.123321 0.333558 N\n0.144007 0.376679 0.666442 N\n0.355993 0.876679 0.666442 N\n0.855993 0.623321 0.333558 N\n0.022820 0.079360 0.169700 N\n0.522820 0.420640 0.830300 N\n0.977180 0.920640 0.830300 N\n0.477180 0.579360 0.169700 N\n0.872345 0.111224 0.128748 O\n0.372345 0.388776 0.871252 O\n0.127655 0.888776 0.871252 O\n0.627655 0.611224 0.128748 O\n0.744240 0.998706 0.312671 O\n0.244240 0.501294 0.687329 O\n0.255760 0.001294 0.687329 O\n0.755760 0.498706 0.312671 O\n0.690056 0.057109 0.547942 O\n0.190056 0.442891 0.452058 O\n0.309944 0.942891 0.452058 O\n0.809944 0.557109 0.547942 O\n0.064629 0.313992 0.068231 O\n0.564629 0.186008 0.931769 O\n0.935371 0.686008 0.931769 O\n0.435371 0.813992 0.068231 O\n","nsites":76,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.4337191291448668,"density_atomic":0.09995557505475337,"volume":760.3377796422955,"volume_molar":6.024817281778639,"formula_full":"H32 C12 N16 O16","formula_reduced":"H8C3(NO)4","formula_anonymous":"A3B4C4D8","energy":-450.74206856,"energy_per_atom":-5.930816691578947,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-439.75006855999993,"band_gap":3.3614,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:29.936000Z","spacegroup":14},{"id":"mp-1521309","created_at":"2022-09-04T14:47:37.269795Z","structure_string":"Sr2 Sm1 V1 O6\n1.0\n0.000000 -4.161084 -4.161084\n4.161084 0.000000 -4.161084\n4.161084 -4.161084 0.000000\nSr Sm V O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 V\n0.728336 0.271664 0.271664 O\n0.271664 0.728336 0.728336 O\n0.728336 0.271664 0.728336 O\n0.271664 0.728336 0.271664 O\n0.728336 0.728336 0.271664 O\n0.271664 0.271664 0.728336 O\n","nsites":10,"nelements":4,"elements":["Sr","Sm","V","O"],"chemical_system":"O-Sm-Sr-V","density":5.4454816599984905,"density_atomic":0.06939857538166162,"volume":144.09517695434525,"volume_molar":8.677614384561753,"formula_full":"Sr2 Sm1 V1 O6","formula_reduced":"Sr2SmVO6","formula_anonymous":"ABC2D6","energy":-77.66068232,"energy_per_atom":-7.766068232,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.83868232,"band_gap":1.6372,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.436000Z","spacegroup":225},{"id":"mp-1520388","created_at":"2022-09-04T14:48:28.391273Z","structure_string":"Ba1 Ca1 Y1 Sb1 O6\n1.0\n-0.000000 -4.214495 -4.214495\n4.214495 -0.000000 -4.214495\n4.214495 -4.214495 -0.000000\nBa Ca Y Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 -0.000000 Sb\n0.763030 0.236970 0.236970 O\n0.236970 0.763030 0.763030 O\n0.763030 0.236970 0.763030 O\n0.236970 0.763030 0.236970 O\n0.763030 0.763030 0.236970 O\n0.236970 0.236970 0.763030 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Y","Sb","O"],"chemical_system":"Ba-Ca-O-Sb-Y","density":5.368935345226492,"density_atomic":0.06679337301060245,"volume":149.7154515375747,"volume_molar":9.016075231062333,"formula_full":"Ba1 Ca1 Y1 Sb1 O6","formula_reduced":"BaCaYSbO6","formula_anonymous":"ABCDE6","energy":-74.1372092,"energy_per_atom":-7.41372092,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.0152092,"band_gap":3.375,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:16.356000Z","spacegroup":216},{"id":"mp-555612","created_at":"2022-09-04T14:47:24.682604Z","structure_string":"Sb8 Ir2 C10 Cl2 O10 F44\n1.0\n12.831144 0.000000 0.000000\n0.000000 9.888489 0.000000\n0.000000 3.074675 10.332344\nSb Ir C Cl O F\n8 2 10 2 10 44\ndirect\n0.622193 0.259091 0.967656 Sb\n0.366833 0.241200 0.508432 Sb\n0.866833 0.758800 0.491568 Sb\n0.682463 0.831447 0.769411 Sb\n0.182463 0.168553 0.230589 Sb\n0.122193 0.740909 0.032344 Sb\n0.282916 0.651644 0.744115 Sb\n0.782916 0.348356 0.255885 Sb\n0.488873 0.741451 0.246227 Ir\n0.988873 0.258549 0.753773 Ir\n0.965939 0.415206 0.831785 C\n0.136555 0.230729 0.817851 C\n0.465939 0.584794 0.168215 C\n0.344471 0.730781 0.320158 C\n0.439419 0.884639 0.084717 C\n0.636555 0.769271 0.182149 C\n0.939419 0.115361 0.915283 C\n0.844471 0.269219 0.679842 C\n0.040040 0.386129 0.584578 C\n0.540040 0.613871 0.415422 C\n0.012342 0.072063 0.659085 Cl\n0.512342 0.927937 0.340915 Cl\n0.567668 0.544123 0.512344 O\n0.454170 0.497277 0.120420 O\n0.764909 0.270054 0.634011 O\n0.264909 0.729946 0.365989 O\n0.719934 0.785672 0.146425 O\n0.412081 0.966956 0.994318 O\n0.067668 0.455877 0.487656 O\n0.954170 0.502723 0.879580 O\n0.912081 0.033044 0.005682 O\n0.219934 0.214328 0.853575 O\n0.774661 0.957054 0.822242 F\n0.491099 0.239232 0.413545 F\n0.262903 0.701608 0.097412 F\n0.762903 0.298392 0.902588 F\n0.085139 0.550751 0.110120 F\n0.170184 0.922611 0.933516 F\n0.729876 0.751843 0.423010 F\n0.670184 0.077389 0.066484 F\n0.218256 0.812589 0.632956 F\n0.928464 0.684748 0.365480 F\n0.381423 0.050285 0.605031 F\n0.229876 0.248157 0.576990 F\n0.104548 0.287425 0.306051 F\n0.718256 0.187411 0.367044 F\n0.604548 0.712575 0.693949 F\n0.585139 0.449249 0.889880 F\n0.870777 0.236327 0.183569 F\n0.881423 0.949715 0.394969 F\n0.992286 0.779303 0.945527 F\n0.794983 0.837424 0.627252 F\n0.375276 0.632170 0.612202 F\n0.621955 0.991295 0.651268 F\n0.260151 0.324045 0.129631 F\n0.670933 0.330763 0.120068 F\n0.492286 0.220697 0.054473 F\n0.875276 0.367830 0.387798 F\n0.176839 0.533647 0.700944 F\n0.842784 0.571424 0.605434 F\n0.083428 0.806988 0.173903 F\n0.121955 0.008705 0.348732 F\n0.294983 0.162576 0.372748 F\n0.583428 0.193012 0.826097 F\n0.760151 0.675955 0.870369 F\n0.829907 0.512084 0.129501 F\n0.587801 0.820875 0.909703 F\n0.991099 0.760768 0.586455 F\n0.274661 0.042946 0.177758 F\n0.342784 0.428576 0.394566 F\n0.370777 0.763673 0.816431 F\n0.428464 0.315252 0.634520 F\n0.170933 0.669237 0.879932 F\n0.676839 0.466353 0.299056 F\n0.087801 0.179125 0.090297 F\n0.329907 0.487916 0.870499 F\n","nsites":76,"nelements":6,"elements":["Sb","Ir","C","Cl","O","F"],"chemical_system":"C-Cl-F-Ir-O-Sb","density":3.2241825553085355,"density_atomic":0.05797215191956603,"volume":1310.9742778816778,"volume_molar":10.387988992293183,"formula_full":"Sb8 Ir2 C10 Cl2 O10 F44","formula_reduced":"Sb4IrC5ClO5F22","formula_anonymous":"ABC4D5E5F22","energy":-441.78125962,"energy_per_atom":-5.812911310789474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-413.35525962,"band_gap":2.9357,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:07.174000Z","spacegroup":4},{"id":"mp-20143","created_at":"2022-09-04T14:47:35.579071Z","structure_string":"La4 Ni2 O8\n1.0\n5.511652 -0.000053 0.000049\n-0.000053 5.676467 0.000007\n2.755882 -0.000017 6.219068\nLa Ni O\n4 2 8\ndirect\n0.636836 0.985034 0.725974 La\n0.363098 0.014982 0.273709 La\n0.136844 0.515090 0.726089 La\n0.863066 0.485125 0.273831 La\n0.499343 0.499767 0.001425 Ni\n0.000114 0.999813 0.000190 Ni\n0.234330 0.749813 0.031887 O\n0.265912 0.250121 0.967902 O\n0.766265 0.249787 0.967869 O\n0.733962 0.750071 0.031930 O\n0.820569 0.063201 0.358576 O\n0.179616 0.936875 0.641050 O\n0.320514 0.436984 0.358549 O\n0.679532 0.563336 0.641017 O\n","nsites":14,"nelements":3,"elements":["La","Ni","O"],"chemical_system":"La-Ni-O","density":6.8359710755283825,"density_atomic":0.07195227579582487,"volume":194.57341474128006,"volume_molar":8.369632083756054,"formula_full":"La4 Ni2 O8","formula_reduced":"La2NiO4","formula_anonymous":"AB2C4","energy":-113.81832664,"energy_per_atom":-8.129880474285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.24032664,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:38:16.651000Z","spacegroup":64},{"id":"mp-1244987","created_at":"2022-09-04T14:47:27.348553Z","structure_string":"Zn100\n1.0\n11.706464 0.331444 -0.299754\n0.351417 11.811438 -0.491175\n-0.315011 -0.493333 11.703576\nZn\n100\ndirect\n0.948285 0.646914 0.594303 Zn\n0.291274 0.108757 0.100264 Zn\n0.964411 0.217735 0.407935 Zn\n0.269466 0.625166 0.240734 Zn\n0.225154 0.129736 0.453224 Zn\n0.433616 0.878988 0.645804 Zn\n0.624232 0.901217 0.137379 Zn\n0.171050 0.190993 0.812744 Zn\n0.270937 0.305378 0.998508 Zn\n0.541205 0.755882 0.466929 Zn\n0.672320 0.321084 0.521191 Zn\n0.532903 0.304867 0.201498 Zn\n0.212982 0.730141 0.930812 Zn\n0.105386 0.100778 0.236309 Zn\n0.629987 0.222644 0.867043 Zn\n0.745520 0.729052 0.555014 Zn\n0.046737 0.346787 0.920265 Zn\n0.441738 0.953009 0.007915 Zn\n0.299161 0.993844 0.285816 Zn\n0.688703 0.629864 0.329021 Zn\n0.877245 0.309494 0.608716 Zn\n0.563004 0.590595 0.942821 Zn\n0.327645 0.405733 0.217644 Zn\n0.048975 0.890931 0.966062 Zn\n0.080749 0.794999 0.522031 Zn\n0.918023 0.488491 0.765168 Zn\n0.906131 0.206894 0.184249 Zn\n0.522837 0.681755 0.709574 Zn\n0.080021 0.562025 0.900182 Zn\n0.142641 0.412151 0.730708 Zn\n0.597852 0.540733 0.546471 Zn\n0.701414 0.200549 0.082497 Zn\n0.936669 0.078216 0.820762 Zn\n0.191466 0.820283 0.727376 Zn\n0.895949 0.409804 0.298352 Zn\n0.075370 0.536630 0.288973 Zn\n0.744997 0.639252 0.769063 Zn\n0.482944 0.363497 0.987378 Zn\n0.691213 0.686121 0.112774 Zn\n0.727201 0.206465 0.323923 Zn\n0.890314 0.380860 0.068774 Zn\n0.309144 0.718323 0.489177 Zn\n0.514308 0.265806 0.658379 Zn\n0.868015 0.677952 0.972908 Zn\n0.150964 0.804236 0.309853 Zn\n0.868913 0.029580 0.048713 Zn\n0.890551 0.589253 0.164594 Zn\n0.153160 0.321506 0.359518 Zn\n0.428614 0.146693 0.919327 Zn\n0.245287 0.508901 0.431863 Zn\n0.167339 0.610376 0.635750 Zn\n0.992247 0.729707 0.800271 Zn\n0.393726 0.800997 0.844119 Zn\n0.459292 0.960095 0.434023 Zn\n0.671185 0.420333 0.331825 Zn\n0.463037 0.577592 0.343432 Zn\n0.363048 0.208145 0.309335 Zn\n0.233359 0.874779 0.108395 Zn\n0.080903 0.109903 0.000274 Zn\n0.942006 0.850069 0.165412 Zn\n0.930207 0.691010 0.372614 Zn\n0.834894 0.878675 0.883160 Zn\n0.295468 0.314479 0.560837 Zn\n0.086397 0.694439 0.105791 Zn\n0.383728 0.533563 0.599464 Zn\n0.458807 0.377283 0.433056 Zn\n0.408841 0.795963 0.275755 Zn\n0.517066 0.093048 0.177569 Zn\n0.866321 0.025869 0.286418 Zn\n0.760577 0.817856 0.286787 Zn\n0.633358 0.791105 0.928953 Zn\n0.715293 0.414482 0.729694 Zn\n0.544339 0.055086 0.735878 Zn\n0.356836 0.553076 0.035856 Zn\n0.089477 0.230159 0.603727 Zn\n0.662901 0.863149 0.733871 Zn\n0.253321 0.928930 0.518542 Zn\n0.696791 0.412878 0.970497 Zn\n0.812890 0.500414 0.493661 Zn\n0.338241 0.104170 0.662290 Zn\n0.509339 0.462074 0.770837 Zn\n0.055411 0.989602 0.411669 Zn\n0.034117 0.443929 0.519309 Zn\n0.254246 0.991185 0.872266 Zn\n0.865791 0.897187 0.464489 Zn\n0.847289 0.279643 0.853837 Zn\n0.729432 0.152539 0.676608 Zn\n0.347491 0.321658 0.791019 Zn\n0.576522 0.511396 0.149482 Zn\n0.903858 0.891344 0.679855 Zn\n0.538320 0.160799 0.459878 Zn\n0.448775 0.747834 0.065823 Zn\n0.660742 0.955969 0.548620 Zn\n0.913598 0.086603 0.578929 Zn\n0.656172 0.015915 0.943287 Zn\n0.652154 0.007986 0.339475 Zn\n0.307665 0.560570 0.811514 Zn\n0.101797 0.296390 0.143140 Zn\n0.112134 0.018598 0.676608 Zn\n0.156736 0.485994 0.082633 Zn\n","nsites":100,"nelements":1,"elements":["Zn"],"chemical_system":"Zn","density":6.733494229205109,"density_atomic":0.061994603294552884,"volume":1613.0436309895128,"volume_molar":9.713975797840344,"formula_full":"Zn100","formula_reduced":"Zn","formula_anonymous":"A","energy":-120.13688532,"energy_per_atom":-1.2013688532,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-120.13688532,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.488000Z","spacegroup":1},{"id":"mp-703521","created_at":"2022-09-04T14:39:36.190254Z","structure_string":"Na10 P6 H24 O32\n1.0\n7.611665 0.000000 0.000000\n-0.368929 9.887513 0.000000\n-0.867580 -0.165642 10.415688\nNa P H O\n10 6 24 32\ndirect\n0.908856 0.065638 0.117635 Na\n0.091144 0.934362 0.882365 Na\n0.950618 0.410644 0.132206 Na\n0.049382 0.589356 0.867794 Na\n0.583180 0.062768 0.863209 Na\n0.416820 0.937232 0.136791 Na\n0.229596 0.241651 0.338659 Na\n0.770404 0.758349 0.661341 Na\n0.578105 0.449730 0.854085 Na\n0.421895 0.550270 0.145915 Na\n0.740104 0.254546 0.609030 P\n0.259896 0.745454 0.390970 P\n0.952363 0.265619 0.852608 P\n0.047637 0.734381 0.147392 P\n0.282279 0.236682 0.005131 P\n0.717721 0.763318 0.994869 P\n0.611773 0.280978 0.107366 H\n0.388227 0.719022 0.892634 H\n0.674874 0.234780 0.246092 H\n0.325126 0.765220 0.753908 H\n0.892852 0.090413 0.411996 H\n0.107148 0.909587 0.588004 H\n0.057212 0.008607 0.380016 H\n0.942788 0.991393 0.619984 H\n0.912912 0.395051 0.415477 H\n0.087088 0.604949 0.584523 H\n0.075066 0.489315 0.388101 H\n0.924934 0.510685 0.611899 H\n0.559909 0.416692 0.396339 H\n0.440091 0.583308 0.603661 H\n0.380211 0.487144 0.399505 H\n0.619789 0.512856 0.600495 H\n0.170989 0.242418 0.618459 H\n0.829011 0.757582 0.381541 H\n0.377566 0.251833 0.618806 H\n0.622434 0.748167 0.381194 H\n0.440470 0.911457 0.596703 H\n0.559530 0.088543 0.403297 H\n0.609111 0.003010 0.622144 H\n0.390889 0.996990 0.377856 H\n0.933594 0.268879 0.696942 O\n0.066406 0.731121 0.303058 O\n0.163286 0.288219 0.872295 O\n0.836714 0.711781 0.127705 O\n0.871129 0.389668 0.906510 O\n0.128871 0.610332 0.093490 O\n0.892832 0.127682 0.896517 O\n0.107168 0.872318 0.103483 O\n0.745417 0.380897 0.524167 O\n0.254583 0.619103 0.475833 O\n0.747976 0.120613 0.533212 O\n0.252024 0.879387 0.466788 O\n0.598126 0.252520 0.703443 O\n0.401874 0.747480 0.296557 O\n0.437018 0.340958 0.016795 O\n0.562982 0.659042 0.983205 O\n0.333745 0.093662 0.971445 O\n0.666255 0.906338 0.028555 O\n0.160407 0.244378 0.113904 O\n0.839593 0.755622 0.886096 O\n0.718166 0.252825 0.162793 O\n0.281834 0.747175 0.837207 O\n0.971976 0.072600 0.343077 O\n0.028024 0.927400 0.656923 O\n0.004763 0.409635 0.354250 O\n0.995237 0.590365 0.645750 O\n0.447124 0.429406 0.344488 O\n0.552876 0.570594 0.655512 O\n0.266405 0.245022 0.562292 O\n0.733595 0.754978 0.437708 O\n0.541108 0.929480 0.661847 O\n0.458892 0.070520 0.338153 O\n","nsites":72,"nelements":4,"elements":["Na","P","H","O"],"chemical_system":"H-Na-O-P","density":2.0164665962178683,"density_atomic":0.09184971235798478,"volume":783.8892267771029,"volume_molar":6.5565156443045485,"formula_full":"Na10 P6 H24 O32","formula_reduced":"Na5P3(H3O4)4","formula_anonymous":"A3B5C12D16","energy":-424.88366124,"energy_per_atom":-5.901161961666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-402.89966124,"band_gap":4.4239,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.210000Z","spacegroup":2},{"id":"mp-542814","created_at":"2022-09-04T14:48:21.754066Z","structure_string":"Si24 O48\n1.0\n5.083753 0.000000 0.000000\n0.000000 8.466796 0.000000\n0.000000 0.000000 26.908037\nSi O\n24 48\ndirect\n0.613458 0.677074 0.138842 Si\n0.113458 0.822926 0.861158 Si\n0.386542 0.177074 0.361158 Si\n0.886542 0.322926 0.638842 Si\n0.497271 0.302310 0.138716 Si\n0.997271 0.197690 0.861284 Si\n0.502729 0.802310 0.361284 Si\n0.002729 0.697690 0.638716 Si\n0.616631 0.810796 0.027875 Si\n0.116631 0.689204 0.972125 Si\n0.383369 0.310796 0.472125 Si\n0.883369 0.189204 0.527875 Si\n0.500534 0.186048 0.027868 Si\n0.000534 0.313952 0.972132 Si\n0.499466 0.686048 0.472132 Si\n0.999466 0.813952 0.527868 Si\n0.114259 0.799430 0.194672 Si\n0.614259 0.700570 0.805328 Si\n0.885741 0.299430 0.305328 Si\n0.385741 0.200570 0.694672 Si\n0.996466 0.173861 0.194257 Si\n0.496466 0.326139 0.805743 Si\n0.003534 0.673861 0.305743 Si\n0.503534 0.826139 0.694257 Si\n0.065459 0.987785 0.194902 O\n0.565459 0.512215 0.805098 O\n0.934541 0.487785 0.305098 O\n0.434541 0.012215 0.694902 O\n0.567028 0.488376 0.139672 O\n0.067028 0.011624 0.860328 O\n0.432972 0.988376 0.360328 O\n0.932972 0.511624 0.639672 O\n0.572829 0.000034 0.028526 O\n0.072829 0.499966 0.971474 O\n0.427171 0.500034 0.471474 O\n0.927171 0.999966 0.528526 O\n0.564156 0.741412 0.083014 O\n0.064156 0.758588 0.916986 O\n0.435844 0.241412 0.416986 O\n0.935844 0.258588 0.583014 O\n0.416143 0.245892 0.083040 O\n0.916143 0.254108 0.916960 O\n0.583857 0.745892 0.416960 O\n0.083857 0.754108 0.583040 O\n0.918956 0.231488 0.249569 O\n0.418956 0.268512 0.750431 O\n0.081044 0.731488 0.250431 O\n0.581044 0.768512 0.749569 O\n0.414170 0.765709 0.176853 O\n0.914170 0.734291 0.823147 O\n0.585830 0.265709 0.323147 O\n0.085830 0.234291 0.676853 O\n0.250452 0.274186 0.175883 O\n0.750452 0.225814 0.824117 O\n0.749548 0.774186 0.324117 O\n0.249548 0.725814 0.675883 O\n0.913610 0.712673 0.156357 O\n0.413610 0.787327 0.843643 O\n0.086390 0.212673 0.343643 O\n0.586390 0.287327 0.656357 O\n0.750940 0.200436 0.156560 O\n0.250940 0.299564 0.843440 O\n0.249060 0.700436 0.343440 O\n0.749060 0.799564 0.656560 O\n0.417815 0.726586 0.988646 O\n0.917815 0.773414 0.011354 O\n0.582185 0.226586 0.511354 O\n0.082185 0.273414 0.488646 O\n0.253458 0.212007 0.990470 O\n0.753458 0.287993 0.009530 O\n0.746542 0.712007 0.509530 O\n0.246542 0.787993 0.490470 O\n","nsites":72,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.0674536941630506,"density_atomic":0.06216514379963404,"volume":1158.2053157001442,"volume_molar":9.687327000175703,"formula_full":"Si24 O48","formula_reduced":"SiO2","formula_anonymous":"AB2","energy":-602.62918731,"energy_per_atom":-8.36984982375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-569.65318731,"band_gap":5.7162,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:39:09.314000Z","spacegroup":19},{"id":"mp-1380156","created_at":"2022-09-04T14:41:11.183312Z","structure_string":"Cd2 H16 N4 O20\n1.0\n0.000000 5.529036 12.872671\n2.933382 0.000000 12.872671\n2.933382 5.529036 0.000000\nCd H N O\n2 16 4 20\ndirect\n0.260433 0.239567 0.260433 Cd\n0.010433 0.989567 0.010433 Cd\n0.494801 0.623744 0.900098 H\n0.889991 0.998609 0.499913 H\n0.268643 0.349902 0.626256 H\n0.626256 0.755199 0.268643 H\n0.498570 0.499997 0.951838 H\n0.951838 0.049595 0.498570 H\n0.200405 0.298162 0.750003 H\n0.750003 0.751430 0.200405 H\n0.153467 0.179059 0.040481 H\n0.040481 0.626993 0.153467 H\n0.623007 0.209519 0.070941 H\n0.070941 0.096533 0.623007 H\n0.438658 0.962045 0.837650 H\n0.837650 0.761647 0.438658 H\n0.488353 0.412350 0.287955 H\n0.287955 0.811342 0.488353 H\n0.832087 0.490574 0.671047 N\n0.671047 0.006293 0.832087 N\n0.243707 0.578953 0.759426 N\n0.759426 0.417913 0.243707 N\n0.785883 0.620760 0.598190 O\n0.598190 0.995167 0.785883 O\n0.254833 0.651810 0.629240 O\n0.629240 0.464117 0.254833 O\n0.071427 0.240097 0.548415 O\n0.548415 0.140061 0.071427 O\n0.109939 0.701585 0.009903 O\n0.009903 0.178573 0.109939 O\n0.647878 0.606696 0.858703 O\n0.858703 0.886723 0.647878 O\n0.363277 0.391297 0.643304 O\n0.643304 0.602122 0.363277 O\n0.437896 0.612142 0.880856 O\n0.880642 0.077501 0.436774 O\n0.180894 0.369144 0.637858 O\n0.644917 0.813226 0.172499 O\n0.251216 0.154567 0.964936 O\n0.964936 0.629281 0.251216 O\n0.620719 0.285064 0.095433 O\n0.095433 0.998784 0.620719 O\n","nsites":42,"nelements":4,"elements":["Cd","H","N","O"],"chemical_system":"Cd-H-N-O","density":2.453534124646806,"density_atomic":0.10058485279365603,"volume":417.55790095115566,"volume_molar":5.987124892804755,"formula_full":"Cd2 H16 N4 O20","formula_reduced":"CdH8(NO5)2","formula_anonymous":"AB2C8D10","energy":-236.30692787,"energy_per_atom":-5.6263554254761905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-222.56692787,"band_gap":3.5094,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.589000Z","spacegroup":1}]}