{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=44","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=42","results":[{"id":"mp-1196463","created_at":"2022-09-04T14:42:12.404808Z","structure_string":"Ag4 H48 C16 S8 N20 O12\n1.0\n3.388346 9.819769 0.000000\n-3.388346 9.819769 0.000000\n0.000000 0.277248 18.929518\nAg H C S N O\n4 48 16 8 20 12\ndirect\n0.805010 0.194990 0.250000 Ag\n0.194990 0.805010 0.750000 Ag\n0.306850 0.693150 0.250000 Ag\n0.693150 0.306850 0.750000 Ag\n0.499425 0.181215 0.424547 H\n0.818785 0.500575 0.075453 H\n0.500575 0.818785 0.575453 H\n0.181215 0.499425 0.924547 H\n0.256111 0.498163 0.471932 H\n0.501837 0.743889 0.028068 H\n0.743889 0.501837 0.528068 H\n0.498163 0.256111 0.971932 H\n0.691921 0.095693 0.368304 H\n0.904307 0.308079 0.131696 H\n0.308079 0.904307 0.631696 H\n0.095693 0.691921 0.868304 H\n0.963959 0.696800 0.086686 H\n0.303200 0.036041 0.413314 H\n0.036041 0.303200 0.913314 H\n0.696800 0.963959 0.586686 H\n0.633135 0.964078 0.125271 H\n0.035922 0.366865 0.374729 H\n0.366865 0.035922 0.874729 H\n0.964078 0.633135 0.625271 H\n0.163602 0.617485 0.134571 H\n0.382515 0.836398 0.365429 H\n0.836398 0.382515 0.865429 H\n0.617485 0.163602 0.634571 H\n0.269998 0.757968 0.474080 H\n0.242032 0.730002 0.025920 H\n0.730002 0.242032 0.525920 H\n0.757968 0.269998 0.974080 H\n0.119458 0.838913 0.398281 H\n0.161087 0.880542 0.101719 H\n0.880542 0.161087 0.601719 H\n0.838913 0.119458 0.898281 H\n0.041981 0.838245 0.482845 H\n0.161755 0.958019 0.017155 H\n0.958019 0.161755 0.517155 H\n0.838245 0.041981 0.982845 H\n0.491363 0.223254 0.240845 H\n0.776746 0.508637 0.259155 H\n0.508637 0.776746 0.759155 H\n0.223254 0.491363 0.740845 H\n0.545620 0.022824 0.273973 H\n0.977176 0.454380 0.226027 H\n0.454380 0.977176 0.726027 H\n0.022824 0.545620 0.773973 H\n0.368047 0.184164 0.201870 H\n0.815836 0.631953 0.298130 H\n0.631953 0.815836 0.798130 H\n0.184164 0.368047 0.701870 H\n0.468289 0.398842 0.400786 C\n0.601158 0.531711 0.099214 C\n0.531711 0.601158 0.599214 C\n0.398842 0.468289 0.900786 C\n0.176448 0.756080 0.449211 C\n0.243920 0.823552 0.050789 C\n0.823552 0.243920 0.550789 C\n0.756080 0.176448 0.949211 C\n0.876750 0.839164 0.182426 C\n0.160836 0.123250 0.317574 C\n0.123250 0.160836 0.817574 C\n0.839164 0.876750 0.682426 C\n0.512256 0.105566 0.225809 C\n0.894434 0.487744 0.274191 C\n0.487744 0.894434 0.774191 C\n0.105566 0.512256 0.725809 C\n0.568161 0.452284 0.354654 S\n0.547716 0.431839 0.145346 S\n0.431839 0.547716 0.645346 S\n0.452284 0.568161 0.854654 S\n0.957715 0.840856 0.261376 S\n0.159144 0.042285 0.238624 S\n0.042285 0.159144 0.738624 S\n0.840856 0.957715 0.761376 S\n0.296219 0.544831 0.440353 N\n0.455169 0.703781 0.059647 N\n0.703781 0.455169 0.559647 N\n0.544831 0.296219 0.940353 N\n0.566364 0.207756 0.400376 N\n0.792244 0.433636 0.099624 N\n0.433636 0.792244 0.599624 N\n0.207756 0.566364 0.900376 N\n0.677346 0.961526 0.173773 N\n0.038474 0.322654 0.326227 N\n0.322654 0.038474 0.826227 N\n0.961526 0.677346 0.673773 N\n0.010950 0.713262 0.129192 N\n0.286738 0.989050 0.370808 N\n0.989050 0.286738 0.870808 N\n0.713262 0.010950 0.629192 N\n0.271656 0.237918 0.020567 N\n0.762082 0.728344 0.479433 N\n0.728344 0.762082 0.979433 N\n0.237918 0.271656 0.520567 N\n0.377919 0.247317 0.044907 O\n0.752683 0.622081 0.455093 O\n0.622081 0.752683 0.955093 O\n0.247317 0.377919 0.544907 O\n0.204160 0.300318 0.956742 O\n0.699682 0.795840 0.543258 O\n0.795840 0.699682 0.043258 O\n0.300318 0.204160 0.456742 O\n0.233869 0.169764 0.057486 O\n0.830236 0.766131 0.442514 O\n0.766131 0.830236 0.942514 O\n0.169764 0.233869 0.557486 O\n","nsites":108,"nelements":6,"elements":["Ag","H","C","S","N","O"],"chemical_system":"Ag-C-H-N-O-S","density":1.8464049039380803,"density_atomic":0.08573638753418397,"volume":1259.67518700201,"volume_molar":7.024019711116136,"formula_full":"Ag4 H48 C16 S8 N20 O12","formula_reduced":"AgH12C4S2N5O3","formula_anonymous":"AB2C3D4E5F12","energy":-627.00838937,"energy_per_atom":-5.805633234907408,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-607.52038937,"band_gap":2.8994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:46.080000Z","spacegroup":15},{"id":"mp-1199292","created_at":"2022-09-04T14:41:13.785916Z","structure_string":"K4 B4 H16 C16 N32 O16\n1.0\n-9.909938 0.000000 3.014648\n0.078994 0.000000 -10.740911\n0.000000 -11.789819 0.000000\nK B H C N O\n4 4 16 16 32 16\ndirect\n0.058970 0.807304 0.628278 K\n0.441030 0.192696 0.128278 K\n0.941030 0.192696 0.371722 K\n0.558970 0.807304 0.871722 K\n0.427832 0.716832 0.509329 B\n0.072168 0.283168 0.009329 B\n0.572168 0.283168 0.490671 B\n0.927832 0.716832 0.990671 B\n0.507325 0.679942 0.453586 H\n0.992675 0.320058 0.953586 H\n0.492675 0.320058 0.546414 H\n0.007325 0.679942 0.046414 H\n0.512910 0.839041 0.289344 H\n0.987090 0.160959 0.789344 H\n0.487090 0.160959 0.710656 H\n0.012910 0.839041 0.210656 H\n0.468939 0.760348 0.601384 H\n0.031061 0.239652 0.101384 H\n0.531061 0.239652 0.398616 H\n0.968939 0.760348 0.898616 H\n0.330363 0.454894 0.413311 H\n0.169637 0.545106 0.913311 H\n0.669637 0.545106 0.586689 H\n0.830363 0.454894 0.086689 H\n0.440723 0.874355 0.336507 C\n0.059277 0.125645 0.836507 C\n0.559277 0.125645 0.663493 C\n0.940723 0.874355 0.163493 C\n0.308519 0.972323 0.392393 C\n0.191481 0.027677 0.892393 C\n0.691481 0.027677 0.607607 C\n0.808519 0.972323 0.107607 C\n0.267294 0.479568 0.477773 C\n0.232707 0.520432 0.977773 C\n0.732707 0.520432 0.522227 C\n0.767293 0.479568 0.022227 C\n0.120141 0.478110 0.596566 C\n0.379859 0.521890 0.096566 C\n0.879859 0.521890 0.403434 C\n0.620141 0.478110 0.903434 C\n0.390484 0.824054 0.438813 N\n0.109516 0.175946 0.938813 N\n0.609516 0.175946 0.561187 N\n0.890484 0.824054 0.061187 N\n0.304178 0.887400 0.475913 N\n0.195822 0.112600 0.975913 N\n0.695822 0.112600 0.524087 N\n0.804178 0.887400 0.024087 N\n0.391069 0.969734 0.304225 N\n0.108931 0.030266 0.804225 N\n0.608931 0.030266 0.695775 N\n0.891069 0.969734 0.195775 N\n0.300034 0.598588 0.528173 N\n0.199966 0.401412 0.028173 N\n0.699966 0.401412 0.471827 N\n0.800034 0.598588 0.971827 N\n0.204573 0.598778 0.605987 N\n0.295427 0.401222 0.105987 N\n0.795427 0.401222 0.394013 N\n0.704573 0.598778 0.894013 N\n0.152397 0.399943 0.518718 N\n0.347603 0.600057 0.018718 N\n0.847603 0.600057 0.481282 N\n0.652397 0.399943 0.981282 N\n0.225022 0.058272 0.395849 N\n0.274978 0.941728 0.895849 N\n0.774978 0.941728 0.604151 N\n0.725022 0.058272 0.104151 N\n0.999230 0.435612 0.664899 N\n0.500770 0.564388 0.164899 N\n0.000770 0.564388 0.335101 N\n0.499230 0.435612 0.835101 N\n0.233345 0.135100 0.315316 O\n0.266655 0.864900 0.815316 O\n0.766655 0.864900 0.684684 O\n0.733345 0.135100 0.184684 O\n0.147177 0.049835 0.478018 O\n0.352823 0.950165 0.978018 O\n0.852823 0.950165 0.521982 O\n0.647177 0.049835 0.021982 O\n0.975777 0.514892 0.732473 O\n0.524223 0.485108 0.232473 O\n0.024223 0.485108 0.267527 O\n0.475777 0.514892 0.767527 O\n0.925288 0.321770 0.650660 O\n0.574712 0.678230 0.150660 O\n0.074712 0.678230 0.349340 O\n0.425288 0.321770 0.849340 O\n","nsites":88,"nelements":6,"elements":["K","B","H","C","N","O"],"chemical_system":"B-C-H-K-N-O","density":1.4748986643273947,"density_atomic":0.0702807200144004,"volume":1252.1214919535394,"volume_molar":8.568695310415253,"formula_full":"K4 B4 H16 C16 N32 O16","formula_reduced":"KBH4C4(N2O)4","formula_anonymous":"ABC4D4E4F8","energy":-617.20046632,"energy_per_atom":-7.013641662727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-594.65646632,"band_gap":2.731,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004387,"is_theoretical":false,"updated_at":"2021-11-28T01:35:15.485000Z","spacegroup":14},{"id":"mp-776446","created_at":"2022-09-04T14:40:13.883999Z","structure_string":"Li6 Mn3 V3 P6 O24 F6\n1.0\n5.200467 0.000000 0.000000\n1.725054 10.344229 0.000000\n1.332062 1.924093 10.240537\nLi Mn V P O F\n6 3 3 6 24 6\ndirect\n0.995747 0.919567 0.729838 Li\n0.666798 0.412921 0.602027 Li\n0.332692 0.746311 0.933902 Li\n0.667308 0.253689 0.066098 Li\n0.333202 0.587079 0.397973 Li\n0.004253 0.080433 0.270162 Li\n0.500000 0.000000 0.500000 Mn\n0.668004 0.333967 0.332765 Mn\n0.331996 0.666033 0.667235 Mn\n0.000000 0.000000 0.000000 V\n0.831949 0.668087 0.166822 V\n0.168051 0.331913 0.833178 V\n0.812180 0.626885 0.863419 P\n0.851691 0.705802 0.471028 P\n0.482394 0.962467 0.199734 P\n0.517606 0.037533 0.800266 P\n0.148309 0.294198 0.528972 P\n0.187820 0.373115 0.136581 P\n0.742503 0.973977 0.887339 O\n0.972030 0.676439 0.334832 O\n0.880654 0.478659 0.866171 O\n0.780433 0.853276 0.469103 O\n0.923674 0.360387 0.441852 O\n0.941862 0.300110 0.183717 O\n0.588965 0.692353 0.775731 O\n0.607556 0.631069 0.519117 O\n0.693592 0.657947 0.998894 O\n0.550069 0.814684 0.199884 O\n0.636819 0.007047 0.664597 O\n0.276523 0.962714 0.851380 O\n0.723477 0.037286 0.148620 O\n0.363181 0.992953 0.335403 O\n0.449931 0.185316 0.800116 O\n0.306408 0.342053 0.001106 O\n0.392444 0.368931 0.480883 O\n0.411035 0.307647 0.224269 O\n0.058138 0.699890 0.816283 O\n0.076326 0.639613 0.558148 O\n0.219567 0.146724 0.530897 O\n0.119346 0.521341 0.133829 O\n0.027970 0.323561 0.665168 O\n0.257497 0.026023 0.112661 O\n0.932789 0.198596 0.937407 F\n0.748636 0.130911 0.395997 F\n0.594890 0.540318 0.267949 F\n0.405110 0.459682 0.732051 F\n0.251364 0.869089 0.604003 F\n0.067211 0.801404 0.062593 F\n","nsites":48,"nelements":6,"elements":["Li","Mn","V","P","O","F"],"chemical_system":"F-Li-Mn-O-P-V","density":3.144221867401624,"density_atomic":0.08713207067731099,"volume":550.8878605417913,"volume_molar":6.9115088315789945,"formula_full":"Li6 Mn3 V3 P6 O24 F6","formula_reduced":"Li2MnVP2(O4F)2","formula_anonymous":"ABC2D2E2F8","energy":-360.30669715,"energy_per_atom":-7.506389523958333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.94269715,"band_gap":0.2452999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0015855,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.629000Z","spacegroup":2},{"id":"mp-42897","created_at":"2022-09-04T14:42:16.532992Z","structure_string":"Na4 Pr4 Ti4 Nb4 O24 F4\n1.0\n7.392591 0.000000 0.000000\n0.000000 7.392591 0.000000\n0.000000 0.000000 10.501838\nNa Pr Ti Nb O F\n4 4 4 4 24 4\ndirect\n0.500000 0.274026 0.000000 Na\n0.500000 0.725974 0.500000 Na\n0.725974 0.500000 0.250000 Na\n0.274026 0.500000 0.750000 Na\n0.000000 0.726296 0.500000 Pr\n0.273704 0.000000 0.750000 Pr\n0.000000 0.273704 0.000000 Pr\n0.726296 0.000000 0.250000 Pr\n0.764875 0.000000 0.750000 Ti\n0.000000 0.235125 0.500000 Ti\n0.235125 0.000000 0.250000 Ti\n0.000000 0.764875 0.000000 Ti\n0.243254 0.500000 0.250000 Nb\n0.500000 0.243254 0.500000 Nb\n0.500000 0.756746 0.000000 Nb\n0.756746 0.500000 0.750000 Nb\n0.558129 0.947079 0.867961 O\n0.751464 0.772324 0.070996 O\n0.958200 0.958200 0.875000 O\n0.052921 0.441871 0.382039 O\n0.041800 0.958200 0.125000 O\n0.041800 0.041800 0.375000 O\n0.248536 0.227676 0.570996 O\n0.227676 0.751464 0.320996 O\n0.227676 0.248536 0.179004 O\n0.248536 0.772324 0.929004 O\n0.441871 0.052921 0.367961 O\n0.437845 0.437845 0.375000 O\n0.441871 0.947079 0.132039 O\n0.562155 0.437845 0.625000 O\n0.558129 0.052921 0.632039 O\n0.562155 0.562155 0.875000 O\n0.772324 0.751464 0.679004 O\n0.751464 0.227676 0.429004 O\n0.772324 0.248536 0.820996 O\n0.947079 0.558129 0.882039 O\n0.958200 0.041800 0.625000 O\n0.947079 0.441871 0.617961 O\n0.052921 0.558129 0.117961 O\n0.437845 0.562155 0.125000 O\n0.738982 0.261018 0.125000 F\n0.261018 0.738982 0.625000 F\n0.738982 0.738982 0.375000 F\n0.261018 0.261018 0.875000 F\n","nsites":44,"nelements":6,"elements":["Na","Pr","Ti","Nb","O","F"],"chemical_system":"F-Na-Nb-O-Pr-Ti","density":4.856839923490317,"density_atomic":0.07666444630163059,"volume":573.9296652177628,"volume_molar":7.85519370518419,"formula_full":"Na4 Pr4 Ti4 Nb4 O24 F4","formula_reduced":"NaPrTiNbO6F","formula_anonymous":"ABCDEF6","energy":-370.90433848,"energy_per_atom":-8.429644056363635,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-352.56833848,"band_gap":2.811,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.59e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.680000Z","spacegroup":91},{"id":"mp-694981","created_at":"2022-09-04T14:42:16.884382Z","structure_string":"Na8 Al6 Si6 B2 H8 O24\n1.0\n8.987247 0.000000 0.000000\n0.000000 8.987247 0.000000\n0.000000 0.000000 8.987247\nNa Al Si B H O\n8 6 6 2 8 24\ndirect\n0.821287 0.821287 0.178713 Na\n0.821287 0.178713 0.821287 Na\n0.178713 0.821287 0.821287 Na\n0.178713 0.178713 0.178713 Na\n0.321287 0.321287 0.678713 Na\n0.321287 0.678713 0.321287 Na\n0.678713 0.321287 0.321287 Na\n0.678713 0.678713 0.678713 Na\n0.750000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.250000 0.000000 0.500000 Al\n0.500000 0.750000 0.000000 Al\n0.500000 0.250000 0.000000 Al\n0.000000 0.500000 0.250000 Al\n0.750000 0.500000 0.000000 Si\n0.000000 0.750000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.500000 0.000000 0.750000 Si\n0.500000 0.000000 0.250000 Si\n0.000000 0.250000 0.500000 Si\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 B\n0.579160 0.579160 0.420840 H\n0.579160 0.420840 0.579160 H\n0.079160 0.079160 0.920840 H\n0.079160 0.920840 0.079160 H\n0.420840 0.579160 0.579160 H\n0.420840 0.420840 0.420840 H\n0.920840 0.920840 0.920840 H\n0.920840 0.079160 0.079160 H\n0.561803 0.860361 0.149617 O\n0.561803 0.139639 0.850383 O\n0.850383 0.561803 0.139639 O\n0.850383 0.438197 0.860361 O\n0.860361 0.149617 0.561803 O\n0.860361 0.850383 0.438197 O\n0.061803 0.350383 0.639639 O\n0.061803 0.649617 0.360361 O\n0.139639 0.850383 0.561803 O\n0.139639 0.149617 0.438197 O\n0.149617 0.561803 0.860361 O\n0.149617 0.438197 0.139639 O\n0.350383 0.360361 0.938197 O\n0.350383 0.639639 0.061803 O\n0.360361 0.061803 0.649617 O\n0.360361 0.938197 0.350383 O\n0.438197 0.860361 0.850383 O\n0.438197 0.139639 0.149617 O\n0.639639 0.061803 0.350383 O\n0.639639 0.938197 0.649617 O\n0.649617 0.360361 0.061803 O\n0.649617 0.639639 0.938197 O\n0.938197 0.350383 0.360361 O\n0.938197 0.649617 0.639639 O\n","nsites":54,"nelements":6,"elements":["Na","Al","Si","B","H","O"],"chemical_system":"Al-B-H-Na-O-Si","density":2.122819484896894,"density_atomic":0.07438985747010235,"volume":725.9054101791077,"volume_molar":8.095378812118748,"formula_full":"Na8 Al6 Si6 B2 H8 O24","formula_reduced":"Na4Al3Si3B(HO3)4","formula_anonymous":"AB3C3D4E4F12","energy":-363.86048339,"energy_per_atom":-6.738157099814815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-345.94048339,"band_gap":4.9472,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014506,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.546000Z","spacegroup":218},{"id":"mp-769075","created_at":"2022-09-04T14:40:22.714452Z","structure_string":"Li4 Cu2 H28 C8 N12 O16\n1.0\n12.966334 0.000000 0.000000\n0.000000 3.518611 0.000000\n0.000000 1.715756 13.402962\nLi Cu H C N O\n4 2 28 8 12 16\ndirect\n0.094367 0.714452 0.364277 Li\n0.405633 0.714452 0.864277 Li\n0.594367 0.285548 0.135723 Li\n0.905633 0.285548 0.635723 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.586352 0.087414 0.935485 H\n0.585285 0.261989 0.822527 H\n0.787813 0.712009 0.375790 H\n0.149070 0.390066 0.833411 H\n0.241831 0.495318 0.760022 H\n0.741831 0.504682 0.739978 H\n0.487677 0.815216 0.323759 H\n0.649070 0.609934 0.666589 H\n0.337061 0.873610 0.393286 H\n0.837061 0.126390 0.106714 H\n0.085285 0.738011 0.677473 H\n0.987677 0.184784 0.176241 H\n0.086352 0.912586 0.564515 H\n0.287813 0.287991 0.124210 H\n0.712187 0.712009 0.875790 H\n0.913648 0.087414 0.435485 H\n0.012323 0.815216 0.823759 H\n0.914715 0.261989 0.322527 H\n0.162939 0.873610 0.893286 H\n0.662939 0.126390 0.606714 H\n0.350930 0.390066 0.333411 H\n0.512323 0.184784 0.676241 H\n0.258169 0.495318 0.260022 H\n0.758169 0.504682 0.239978 H\n0.850930 0.609934 0.166589 H\n0.212187 0.287991 0.624210 H\n0.414715 0.738011 0.177473 H\n0.413648 0.912586 0.064515 H\n0.633328 0.754467 0.345222 C\n0.229035 0.083267 0.001552 C\n0.729035 0.916733 0.498448 C\n0.133328 0.245533 0.154778 C\n0.866672 0.754467 0.845222 C\n0.270965 0.083267 0.501552 C\n0.770965 0.916733 0.998448 C\n0.366672 0.245533 0.654778 C\n0.855642 0.983371 0.047379 N\n0.719894 0.778906 0.406214 N\n0.542148 0.839289 0.376928 N\n0.042148 0.160711 0.123072 N\n0.219894 0.221094 0.093786 N\n0.355642 0.016629 0.452621 N\n0.644358 0.983371 0.547379 N\n0.780106 0.778906 0.906214 N\n0.957852 0.839289 0.876928 N\n0.457852 0.160711 0.623072 N\n0.280106 0.221094 0.593786 N\n0.144358 0.016629 0.952621 N\n0.321802 0.035147 0.970282 O\n0.538231 0.167179 0.878715 O\n0.350232 0.349218 0.742070 O\n0.669633 0.414553 0.722158 O\n0.169633 0.585447 0.777842 O\n0.850232 0.650782 0.757930 O\n0.038231 0.832821 0.621285 O\n0.821802 0.964853 0.529718 O\n0.178198 0.035147 0.470282 O\n0.961769 0.167179 0.378715 O\n0.149768 0.349218 0.242070 O\n0.830367 0.414553 0.222158 O\n0.330367 0.585447 0.277842 O\n0.649768 0.650782 0.257930 O\n0.461769 0.832821 0.121285 O\n0.678198 0.964853 0.029718 O\n","nsites":70,"nelements":6,"elements":["Li","Cu","H","C","N","O"],"chemical_system":"C-Cu-H-Li-N-O","density":1.9096780452257454,"density_atomic":0.11447451000462196,"volume":611.4898416876711,"volume_molar":5.260682714218959,"formula_full":"Li4 Cu2 H28 C8 N12 O16","formula_reduced":"Li2CuH14C4(N3O4)2","formula_anonymous":"AB2C4D6E8F14","energy":-431.31647271,"energy_per_atom":-6.161663895857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-415.99247271,"band_gap":3.7314,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9807113,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.904000Z","spacegroup":14},{"id":"mp-1176343","created_at":"2022-09-04T14:42:21.065264Z","structure_string":"Na10 Li2 Fe4 P4 C4 O28\n1.0\n6.694601 0.000000 0.000000\n-0.055026 8.932494 0.000000\n-0.039343 -0.196734 10.387081\nNa Li Fe P C O\n10 2 4 4 4 28\ndirect\n0.245179 0.918999 0.879925 Na\n0.251137 0.918690 0.381757 Na\n0.000066 0.739115 0.624278 Na\n0.500560 0.738215 0.624490 Na\n0.001871 0.737159 0.125108 Na\n0.496687 0.737137 0.126680 Na\n0.504836 0.260177 0.872305 Na\n0.503096 0.264773 0.380362 Na\n0.996569 0.263399 0.378141 Na\n0.753557 0.084390 0.119375 Na\n0.985996 0.276123 0.877578 Li\n0.757562 0.091091 0.624551 Li\n0.749483 0.645093 0.888851 Fe\n0.750914 0.646721 0.392280 Fe\n0.247757 0.352494 0.615278 Fe\n0.246611 0.352257 0.106128 Fe\n0.245255 0.582848 0.849116 P\n0.249789 0.585432 0.353288 P\n0.754638 0.402895 0.650695 P\n0.748440 0.414405 0.144936 P\n0.757433 0.945372 0.859795 C\n0.750001 0.945495 0.369101 C\n0.247538 0.060622 0.636113 C\n0.249206 0.060099 0.134745 C\n0.251141 0.916612 0.644647 O\n0.251346 0.915780 0.142819 O\n0.750857 0.884573 0.972979 O\n0.751895 0.893017 0.485327 O\n0.747256 0.858360 0.758204 O\n0.750950 0.852387 0.270372 O\n0.062373 0.681670 0.886011 O\n0.434297 0.673013 0.893057 O\n0.064394 0.681466 0.392471 O\n0.437497 0.681425 0.392196 O\n0.251062 0.562357 0.699444 O\n0.750235 0.556999 0.584594 O\n0.248498 0.562012 0.204100 O\n0.747831 0.568991 0.080753 O\n0.232995 0.426030 0.909985 O\n0.771364 0.428961 0.800253 O\n0.250000 0.433088 0.420546 O\n0.753790 0.436827 0.294042 O\n0.566045 0.306037 0.619073 O\n0.931764 0.303905 0.605057 O\n0.560187 0.319697 0.106413 O\n0.932246 0.319632 0.100562 O\n0.242200 0.146000 0.739005 O\n0.246193 0.144608 0.238210 O\n0.249280 0.123635 0.524000 O\n0.249676 0.122868 0.022661 O\n0.773243 0.089248 0.847415 O\n0.747204 0.087801 0.350926 O\n","nsites":52,"nelements":6,"elements":["Na","Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-Na-O-P","density":2.906162868598648,"density_atomic":0.08371675655724166,"volume":621.1420764305984,"volume_molar":7.193471185045658,"formula_full":"Na10 Li2 Fe4 P4 C4 O28","formula_reduced":"Na5LiFe2P2(CO7)2","formula_anonymous":"AB2C2D2E5F14","energy":-366.75787543,"energy_per_atom":-7.053036065961539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-338.49787543,"band_gap":3.6433,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9998907,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.822000Z","spacegroup":1},{"id":"mp-706983","created_at":"2022-09-04T14:40:22.163622Z","structure_string":"K6 H2 Pt2 S4 Cl4 O12\n1.0\n5.327604 -7.652115 0.000000\n5.327604 7.652115 0.000000\n0.000000 0.000000 7.149768\nK H Pt S Cl O\n6 2 2 4 4 12\ndirect\n0.420090 0.859939 0.101002 K\n0.859939 0.420090 0.101002 K\n0.579910 0.140061 0.601002 K\n0.140061 0.579910 0.601002 K\n0.876528 0.876528 0.282582 K\n0.123472 0.123472 0.782582 K\n0.515164 0.515164 0.533465 H\n0.484836 0.484836 0.033465 H\n0.754915 0.754915 0.749467 Pt\n0.245085 0.245085 0.249467 Pt\n0.543055 0.761449 0.598069 S\n0.761449 0.543055 0.598068 S\n0.456945 0.238551 0.098069 S\n0.238551 0.456945 0.098069 S\n0.770958 0.989758 0.904101 Cl\n0.989758 0.770958 0.904101 Cl\n0.229042 0.010242 0.404101 Cl\n0.010242 0.229042 0.404101 Cl\n0.442764 0.820131 0.711522 O\n0.820131 0.442764 0.711522 O\n0.557236 0.179869 0.211521 O\n0.179869 0.557236 0.211521 O\n0.596291 0.858216 0.427578 O\n0.858216 0.596291 0.427578 O\n0.403709 0.141784 0.927578 O\n0.141784 0.403709 0.927578 O\n0.442285 0.599192 0.536122 O\n0.599192 0.442285 0.536122 O\n0.557715 0.400808 0.036122 O\n0.400808 0.557715 0.036122 O\n","nsites":30,"nelements":6,"elements":["K","H","Pt","S","Cl","O"],"chemical_system":"Cl-H-K-O-Pt-S","density":3.101538582762971,"density_atomic":0.05146190808141958,"volume":582.9554542077221,"volume_molar":11.702132673495456,"formula_full":"K6 H2 Pt2 S4 Cl4 O12","formula_reduced":"K3HPtS2(ClO3)2","formula_anonymous":"ABC2D2E3F6","energy":-163.93697715,"energy_per_atom":-5.464565905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.23697715,"band_gap":3.0173,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007227,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.816000Z","spacegroup":36},{"id":"mp-1196828","created_at":"2022-09-04T14:42:21.229020Z","structure_string":"Na4 Li4 Mg4 P4 O16 F4\n1.0\n11.346737 0.000000 0.000000\n0.000000 5.082258 0.000000\n0.000000 0.002510 6.896340\nNa Li Mg P O F\n4 4 4 4 16 4\ndirect\n0.665413 0.753091 0.511399 Na\n0.165413 0.746909 0.488601 Na\n0.334587 0.246909 0.488601 Na\n0.834587 0.253091 0.511399 Na\n0.580184 0.263222 0.740257 Li\n0.080184 0.236778 0.259743 Li\n0.419816 0.736778 0.259743 Li\n0.919816 0.763222 0.740257 Li\n0.328970 0.263463 0.018398 Mg\n0.828970 0.236537 0.981602 Mg\n0.671030 0.736537 0.981602 Mg\n0.171030 0.763463 0.018398 Mg\n0.418189 0.771268 0.754304 P\n0.918189 0.728732 0.245696 P\n0.581811 0.228732 0.245696 P\n0.081811 0.271268 0.754304 P\n0.376194 0.740127 0.542171 O\n0.876194 0.759873 0.457829 O\n0.623806 0.259873 0.457829 O\n0.123806 0.240127 0.542171 O\n0.328305 0.631295 0.890882 O\n0.828305 0.868705 0.109118 O\n0.671695 0.368705 0.109118 O\n0.171695 0.131295 0.890882 O\n0.426124 0.071096 0.805233 O\n0.926124 0.428904 0.194767 O\n0.573876 0.928904 0.194767 O\n0.073876 0.571096 0.805233 O\n0.541123 0.642394 0.782834 O\n0.041123 0.857606 0.217166 O\n0.458877 0.357606 0.217166 O\n0.958877 0.142394 0.782834 O\n0.212791 0.464422 0.199264 F\n0.712791 0.035578 0.800736 F\n0.787209 0.535578 0.800736 F\n0.287209 0.964422 0.199264 F\n","nsites":36,"nelements":6,"elements":["Na","Li","Mg","P","O","F"],"chemical_system":"F-Li-Mg-Na-O-P","density":2.809331627650835,"density_atomic":0.09052241654974957,"volume":397.69154837150217,"volume_molar":6.652651342654264,"formula_full":"Na4 Li4 Mg4 P4 O16 F4","formula_reduced":"NaLiMgPO4F","formula_anonymous":"ABCDEF4","energy":-234.72459611,"energy_per_atom":-6.520127669722222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-221.88459611,"band_gap":5.1228,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0048553,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.146000Z","spacegroup":14},{"id":"mp-1198292","created_at":"2022-09-04T14:42:21.521235Z","structure_string":"Nd2 H48 C8 I6 N16 O16\n1.0\n10.793883 0.000000 0.000000\n0.000000 7.927244 0.000000\n0.000000 4.926473 14.729130\nNd H C I N O\n2 48 8 6 16 16\ndirect\n0.153094 0.500000 0.250000 Nd\n0.846906 0.500000 0.750000 Nd\n0.362448 0.874752 0.009108 H\n0.362448 0.125248 0.490892 H\n0.637552 0.125248 0.990892 H\n0.637552 0.874752 0.509108 H\n0.508781 0.803423 0.988066 H\n0.508781 0.196577 0.511934 H\n0.491219 0.196577 0.011934 H\n0.491219 0.803423 0.488066 H\n0.501929 0.407249 0.175088 H\n0.501929 0.592751 0.324912 H\n0.498071 0.592751 0.824912 H\n0.498071 0.407249 0.675088 H\n0.591833 0.545056 0.086775 H\n0.591833 0.454944 0.413225 H\n0.408167 0.454944 0.913225 H\n0.408167 0.545056 0.586775 H\n0.820595 0.664349 0.218225 H\n0.820595 0.335651 0.281775 H\n0.179405 0.335651 0.781775 H\n0.179405 0.664349 0.718225 H\n0.731354 0.781747 0.273054 H\n0.731354 0.218253 0.226946 H\n0.268646 0.218253 0.726946 H\n0.268646 0.781747 0.773054 H\n0.933539 0.700043 0.462416 H\n0.933539 0.299957 0.037584 H\n0.066461 0.299957 0.537584 H\n0.066461 0.700043 0.962416 H\n0.797117 0.802913 0.412553 H\n0.797117 0.197087 0.087447 H\n0.202883 0.197087 0.587447 H\n0.202883 0.802913 0.912553 H\n0.312563 0.827796 0.260381 H\n0.312563 0.172204 0.239619 H\n0.687437 0.172204 0.739619 H\n0.687437 0.827796 0.760381 H\n0.220547 0.792622 0.342196 H\n0.220547 0.207378 0.157804 H\n0.779453 0.207378 0.657804 H\n0.779453 0.792622 0.842196 H\n0.112756 0.882322 0.103667 H\n0.112756 0.117678 0.396333 H\n0.887244 0.117678 0.896333 H\n0.887244 0.882322 0.603667 H\n0.983786 0.788444 0.103774 H\n0.983786 0.211556 0.396226 H\n0.016214 0.211556 0.896226 H\n0.016214 0.788444 0.603774 H\n0.414998 0.635871 0.098042 C\n0.414998 0.364129 0.401958 C\n0.585002 0.364129 0.901958 C\n0.585002 0.635871 0.598042 C\n0.894138 0.669561 0.339125 C\n0.894138 0.330439 0.160875 C\n0.105862 0.330439 0.660875 C\n0.105862 0.669561 0.839125 C\n0.530330 0.000000 0.250000 I\n0.469670 0.000000 0.750000 I\n0.784549 0.172617 0.494802 I\n0.784549 0.827383 0.005198 I\n0.215451 0.827383 0.505198 I\n0.215451 0.172617 0.994802 I\n0.425669 0.774347 0.020490 N\n0.425669 0.225653 0.479510 N\n0.574331 0.225653 0.979510 N\n0.574331 0.774347 0.520490 N\n0.511029 0.521367 0.122254 N\n0.511029 0.478633 0.377746 N\n0.488971 0.478633 0.877746 N\n0.488971 0.521367 0.622254 N\n0.805763 0.701268 0.274203 N\n0.805763 0.298732 0.225797 N\n0.194237 0.298732 0.725797 N\n0.194237 0.701268 0.774203 N\n0.874249 0.732574 0.409037 N\n0.874249 0.267426 0.090963 N\n0.125751 0.267426 0.590963 N\n0.125751 0.732574 0.909037 N\n0.316475 0.613506 0.144780 O\n0.316475 0.386494 0.355220 O\n0.683525 0.386494 0.855220 O\n0.683525 0.613506 0.644780 O\n0.990810 0.580549 0.335948 O\n0.990810 0.419451 0.164052 O\n0.009190 0.419451 0.664052 O\n0.009190 0.580549 0.835948 O\n0.232140 0.772940 0.283047 O\n0.232140 0.227060 0.216953 O\n0.767860 0.227060 0.716953 O\n0.767860 0.772940 0.783047 O\n0.067437 0.769911 0.130592 O\n0.067437 0.230089 0.369408 O\n0.932563 0.230089 0.869408 O\n0.932563 0.769911 0.630592 O\n","nsites":96,"nelements":6,"elements":["Nd","H","C","I","N","O"],"chemical_system":"C-H-I-N-Nd-O","density":2.206229941167548,"density_atomic":0.07617179774230493,"volume":1260.3089705822017,"volume_molar":7.905997939517415,"formula_full":"Nd2 H48 C8 I6 N16 O16","formula_reduced":"NdH24C4I3(NO)8","formula_anonymous":"AB3C4D8E8F24","energy":-560.1042223200001,"energy_per_atom":-5.834418982500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-541.06222232,"band_gap":4.0563,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001727,"is_theoretical":false,"updated_at":"2021-11-28T01:35:42.839000Z","spacegroup":13},{"id":"mp-1210396","created_at":"2022-09-04T14:40:12.818869Z","structure_string":"Na1 Cu5 Sb2 As6 H18 O34\n1.0\n7.177277 0.000000 0.000000\n-0.683695 10.002498 0.000000\n-2.715875 -3.535479 10.046641\nNa Cu Sb As H O\n1 5 2 6 18 34\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cu\n0.077775 0.389025 0.181069 Cu\n0.922225 0.610975 0.818931 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.206744 0.197916 0.352036 As\n0.793256 0.802084 0.647964 As\n0.647312 0.354206 0.227061 As\n0.352688 0.645794 0.772939 As\n0.160894 0.704618 0.350542 As\n0.839106 0.295382 0.649458 As\n0.345296 0.054635 0.939646 H\n0.654704 0.945365 0.060354 H\n0.182266 0.029038 0.808893 H\n0.817734 0.970962 0.191107 H\n0.188037 0.257518 0.972821 H\n0.811963 0.742482 0.027179 H\n0.315959 0.904577 0.175842 H\n0.684041 0.095423 0.824158 H\n0.310231 0.797666 0.036583 H\n0.689769 0.202334 0.963417 H\n0.535028 0.147358 0.254311 H\n0.464972 0.852642 0.745689 H\n0.054990 0.369792 0.936719 H\n0.945010 0.630208 0.063281 H\n0.283668 0.291297 0.772200 H\n0.716332 0.708703 0.227800 H\n0.502676 0.693750 0.238554 H\n0.497324 0.306250 0.761446 H\n0.277238 0.353956 0.480419 O\n0.722762 0.646044 0.519581 O\n0.625904 0.189776 0.641275 O\n0.374096 0.810224 0.358725 O\n0.020989 0.186789 0.646066 O\n0.979012 0.813211 0.353934 O\n0.095261 0.588757 0.191894 O\n0.904739 0.411243 0.808106 O\n0.259764 0.883042 0.080783 O\n0.740236 0.116958 0.919217 O\n0.486684 0.426040 0.310300 O\n0.513316 0.573960 0.689700 O\n0.008691 0.096130 0.365404 O\n0.991309 0.903870 0.634596 O\n0.205414 0.635565 0.475498 O\n0.794586 0.364435 0.524502 O\n0.103519 0.585359 0.694778 O\n0.896481 0.414641 0.305222 O\n0.282508 0.024803 0.576569 O\n0.717492 0.975197 0.423431 O\n0.604985 0.168165 0.193308 O\n0.395015 0.831835 0.806692 O\n0.134093 0.204266 0.194878 O\n0.865907 0.795734 0.805122 O\n0.156948 0.354564 0.009560 O\n0.843052 0.645436 0.990440 O\n0.394175 0.091131 0.356841 O\n0.605825 0.908869 0.643159 O\n0.589708 0.646822 0.188618 O\n0.410292 0.353178 0.811382 O\n0.613355 0.358428 0.068260 O\n0.386645 0.641572 0.931740 O\n0.226096 0.087810 0.903028 O\n0.773904 0.912190 0.096972 O\n","nsites":66,"nelements":6,"elements":["Na","Cu","Sb","As","H","O"],"chemical_system":"As-Cu-H-Na-O-Sb","density":3.6742059854453597,"density_atomic":0.09150711659122633,"volume":721.2553783639605,"volume_molar":6.581062746083075,"formula_full":"Na1 Cu5 Sb2 As6 H18 O34","formula_reduced":"NaCu5Sb2As6(H9O17)2","formula_anonymous":"AB2C5D6E18F34","energy":-380.62265142,"energy_per_atom":-5.76700987,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-357.26465142,"band_gap":0.0781,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999997,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.330000Z","spacegroup":2},{"id":"mp-1223559","created_at":"2022-09-04T14:42:21.535652Z","structure_string":"K1 Cr1 Cd1 C6 N6 O1\n1.0\n0.000000 5.591867 5.591867\n5.591867 0.000000 5.591867\n5.591867 5.591867 0.000000\nK Cr Cd C N O\n1 1 1 6 6 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.813497 0.186503 0.186503 C\n0.186503 0.813497 0.186503 C\n0.186503 0.186503 0.813497 C\n0.186503 0.813497 0.813497 C\n0.813497 0.813497 0.186503 C\n0.813497 0.186503 0.813497 C\n0.708806 0.291194 0.291194 N\n0.291194 0.708806 0.291194 N\n0.291194 0.291194 0.708806 N\n0.291194 0.708806 0.708806 N\n0.708806 0.708806 0.291194 N\n0.708806 0.291194 0.708806 N\n0.250000 0.250000 0.250000 O\n","nsites":16,"nelements":6,"elements":["K","Cr","Cd","C","N","O"],"chemical_system":"C-Cd-Cr-K-N-O","density":1.783548086221771,"density_atomic":0.045752990634597465,"volume":349.7039161392246,"volume_molar":13.162288795710289,"formula_full":"K1 Cr1 Cd1 C6 N6 O1","formula_reduced":"KCrCdC6N6O","formula_anonymous":"ABCDE6F6","energy":-118.62531308,"energy_per_atom":-7.4140820675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.77331308,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999046,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.224000Z","spacegroup":216}]}