{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10130","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=10128","results":[{"id":"mp-699460","created_at":"2022-09-04T14:46:51.948079Z","structure_string":"K2 Li2 H8 S4 N4 O12\n1.0\n8.568784 0.000000 0.000000\n0.000000 5.302374 0.000000\n0.000000 2.306591 8.702632\nK Li H S N O\n2 2 8 4 4 12\ndirect\n0.500014 0.202394 0.464585 K\n0.000014 0.797606 0.535415 K\n0.807318 0.093036 0.843395 Li\n0.307318 0.906964 0.156605 Li\n0.158661 0.458699 0.858461 H\n0.658661 0.541301 0.141539 H\n0.291896 0.487178 0.714966 H\n0.791896 0.512822 0.285034 H\n0.022808 0.626934 0.047681 H\n0.522808 0.373066 0.952319 H\n0.953011 0.318758 0.079006 H\n0.453011 0.681242 0.920994 H\n0.191301 0.086958 0.794087 S\n0.691301 0.913042 0.205913 S\n0.132631 0.358134 0.253437 S\n0.632631 0.641866 0.746563 S\n0.185440 0.410331 0.757230 N\n0.685440 0.589669 0.242770 N\n0.050764 0.431986 0.079155 N\n0.550764 0.568014 0.920845 N\n0.257434 0.030107 0.656637 O\n0.757434 0.969893 0.343363 O\n0.028209 0.999045 0.822835 O\n0.528209 0.000955 0.177165 O\n0.289455 0.981941 0.931386 O\n0.789455 0.018059 0.068614 O\n0.020656 0.400228 0.368310 O\n0.520656 0.599772 0.631690 O\n0.269636 0.530762 0.236949 O\n0.769636 0.469238 0.763051 O\n0.176965 0.081302 0.280715 O\n0.676965 0.918698 0.719285 O\n","nsites":32,"nelements":6,"elements":["K","Li","H","S","N","O"],"chemical_system":"H-K-Li-N-O-S","density":2.000785255556923,"density_atomic":0.08093004957816109,"volume":395.40319284118135,"volume_molar":7.441167763259433,"formula_full":"K2 Li2 H8 S4 N4 O12","formula_reduced":"KLiH4S2(NO3)2","formula_anonymous":"ABC2D2E4F6","energy":-189.21991374,"energy_per_atom":-5.913122304375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.53191374,"band_gap":5.1939,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006542,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.693000Z","spacegroup":4},{"id":"mp-1102311","created_at":"2022-09-04T14:46:51.976922Z","structure_string":"Sc3 Cu4 Ge4\n1.0\n0.000000 0.000000 -4.041113\n0.000000 -6.536613 0.000000\n-6.693931 3.268306 2.020556\nSc Cu Ge\n3 4 4\ndirect\n0.000000 0.500000 0.000000 Sc\n0.872874 0.872874 0.745748 Sc\n0.127126 0.127126 0.254252 Sc\n0.671902 0.478083 0.343804 Cu\n0.671902 0.865721 0.343804 Cu\n0.328098 0.134279 0.656196 Cu\n0.328098 0.521917 0.656196 Cu\n0.784067 0.284067 0.568134 Ge\n0.215933 0.715933 0.431866 Ge\n0.500000 0.806627 0.000000 Ge\n0.500000 0.193373 0.000000 Ge\n","nsites":11,"nelements":3,"elements":["Sc","Cu","Ge"],"chemical_system":"Cu-Ge-Sc","density":6.382266989241784,"density_atomic":0.06220963966613649,"volume":176.82147106194856,"volume_molar":9.680398073866554,"formula_full":"Sc3 Cu4 Ge4","formula_reduced":"Sc3(CuGe)4","formula_anonymous":"A3B4C4","energy":-60.12660559,"energy_per_atom":-5.466055053636364,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.12660559,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006117,"is_theoretical":false,"updated_at":"2021-11-28T01:37:43.403000Z","spacegroup":71},{"id":"mp-534863","created_at":"2022-09-04T14:46:51.876188Z","structure_string":"Ca4 Mg8 Ti4 Al8 Si4 O40\n1.0\n-9.021166 0.000000 0.000000\n4.072614 9.037557 0.000000\n-1.043241 -4.470618 -9.425473\nCa Mg Ti Al Si O\n4 8 4 8 4 40\ndirect\n0.603586 0.368053 0.578484 Ca\n0.630986 0.392580 0.051650 Ca\n0.374697 0.619562 0.958742 Ca\n0.396047 0.631339 0.419273 Ca\n0.944150 0.055786 0.654761 Mg\n0.945359 0.057854 0.151733 Mg\n0.734022 0.261042 0.254450 Mg\n0.498880 0.998456 0.006554 Mg\n0.177259 0.858199 0.539791 Mg\n0.148716 0.828524 0.057209 Mg\n0.050392 0.942827 0.846403 Mg\n0.063368 0.944890 0.347317 Mg\n0.846370 0.170144 0.955971 Ti\n0.820204 0.144102 0.459164 Ti\n0.259232 0.751012 0.755318 Ti\n0.011390 0.501215 0.491855 Ti\n0.952875 0.433171 0.796378 Al\n0.560223 0.051046 0.698075 Al\n0.653953 0.770923 0.744519 Al\n0.671716 0.768233 0.239715 Al\n0.230709 0.335145 0.554433 Al\n0.225695 0.340903 0.067270 Al\n0.432057 0.940243 0.304174 Al\n0.047410 0.567447 0.194617 Al\n0.775498 0.660766 0.930484 Si\n0.767243 0.660123 0.443558 Si\n0.334504 0.232658 0.763640 Si\n0.344856 0.233366 0.256283 Si\n0.955076 0.271804 0.826789 O\n0.941907 0.281945 0.348835 O\n0.877675 0.374377 0.615148 O\n0.723253 0.049932 0.584576 O\n0.863338 0.376679 0.122283 O\n0.739012 0.063851 0.074427 O\n0.937641 0.832317 0.981558 O\n0.805246 0.497810 0.898481 O\n0.628081 0.124365 0.881288 O\n0.933762 0.829060 0.489498 O\n0.790412 0.496993 0.432926 O\n0.625888 0.132383 0.382676 O\n0.834569 0.950738 0.790854 O\n0.682915 0.625811 0.785107 O\n0.497414 0.201395 0.701993 O\n0.841497 0.957170 0.292517 O\n0.507655 0.216006 0.177197 O\n0.677662 0.620034 0.292890 O\n0.626353 0.678323 0.556415 O\n0.642081 0.662487 0.051320 O\n0.370875 0.330520 0.938066 O\n0.381986 0.318458 0.431324 O\n0.331993 0.366247 0.709360 O\n0.472454 0.777112 0.821805 O\n0.167557 0.064914 0.717581 O\n0.496843 0.793842 0.306000 O\n0.321977 0.372104 0.221573 O\n0.172469 0.069026 0.211015 O\n0.385230 0.859944 0.628308 O\n0.210210 0.512399 0.564894 O\n0.044926 0.163173 0.517122 O\n0.380739 0.873542 0.120361 O\n0.200218 0.514518 0.096323 O\n0.049234 0.159554 0.012749 O\n0.262340 0.931948 0.908159 O\n0.142130 0.610073 0.853198 O\n0.278431 0.967133 0.415087 O\n0.113396 0.608176 0.375561 O\n0.063279 0.718703 0.659878 O\n0.020879 0.725522 0.183034 O\n","nsites":68,"nelements":6,"elements":["Ca","Mg","Ti","Al","Si","O"],"chemical_system":"Al-Ca-Mg-O-Si-Ti","density":3.2724275607140942,"density_atomic":0.08848955990457902,"volume":768.4522340638429,"volume_molar":6.805481648336659,"formula_full":"Ca4 Mg8 Ti4 Al8 Si4 O40","formula_reduced":"CaMg2TiAl2SiO10","formula_anonymous":"ABCD2E2F10","energy":-531.93553032,"energy_per_atom":-7.8225813282352945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-504.45553032,"band_gap":3.2501999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0062841,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.661000Z","spacegroup":1},{"id":"mp-1186050","created_at":"2022-09-04T14:46:51.889045Z","structure_string":"Na3 Hg1\n1.0\n-2.410195 2.410195 5.049740\n2.410195 -2.410195 5.049740\n2.410195 2.410195 -5.049740\nNa Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Na","Hg"],"chemical_system":"Hg-Na","density":3.814784931806106,"density_atomic":0.03408997006334265,"volume":117.33656534656943,"volume_molar":17.665432820299483,"formula_full":"Na3 Hg1","formula_reduced":"Na3Hg","formula_anonymous":"AB3","energy":-4.81049717,"energy_per_atom":-1.2026242925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.81049717,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001658,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.589000Z","spacegroup":139},{"id":"mp-9298","created_at":"2022-09-04T14:46:51.892674Z","structure_string":"Sr2 Au4 O8\n1.0\n-3.155410 3.155410 5.162851\n3.155410 -3.155410 5.162851\n3.155410 3.155410 -5.162851\nSr Au O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.375000 0.625000 0.250000 Au\n0.875000 0.625000 0.250000 Au\n0.375000 0.125000 0.750000 Au\n0.375000 0.625000 0.750000 Au\n0.579854 0.951405 0.935116 O\n0.701405 0.266290 0.871551 O\n0.394739 0.829854 0.128449 O\n0.016290 0.644739 0.064884 O\n0.170146 0.298595 0.564884 O\n0.048595 0.983710 0.628449 O\n0.733710 0.605261 0.435116 O\n0.355261 0.420146 0.371551 O\n","nsites":14,"nelements":3,"elements":["Sr","Au","O"],"chemical_system":"Au-O-Sr","density":8.811565276233614,"density_atomic":0.0680874168287195,"volume":205.6180224198894,"volume_molar":8.84471909861007,"formula_full":"Sr2 Au4 O8","formula_reduced":"Sr(AuO2)2","formula_anonymous":"AB2C4","energy":-76.74237235999999,"energy_per_atom":-5.481598025714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.24637236,"band_gap":1.5463,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.28e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:34.414000Z","spacegroup":88},{"id":"mp-23947","created_at":"2022-09-04T14:46:51.894870Z","structure_string":"Cs12 Mg4 H20\n1.0\n8.433291 0.000000 0.000000\n0.000000 8.433291 0.000000\n0.000000 0.000000 12.840824\nCs Mg H\n12 4 20\ndirect\n0.000000 0.500000 0.496256 Cs\n0.500000 0.000000 0.003744 Cs\n0.500000 0.000000 0.503744 Cs\n0.000000 0.500000 0.996256 Cs\n0.680226 0.680226 0.750000 Cs\n0.819774 0.180226 0.750000 Cs\n0.180226 0.819774 0.750000 Cs\n0.319774 0.319774 0.750000 Cs\n0.819774 0.819774 0.250000 Cs\n0.680226 0.319774 0.250000 Cs\n0.319774 0.680226 0.250000 Cs\n0.180226 0.180226 0.250000 Cs\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.741334 H\n0.500000 0.000000 0.758666 H\n0.500000 0.000000 0.258666 H\n0.000000 0.500000 0.241334 H\n0.385334 0.634164 0.587573 H\n0.614666 0.365836 0.587573 H\n0.634164 0.385334 0.912427 H\n0.134164 0.114666 0.587573 H\n0.865836 0.885334 0.587573 H\n0.114666 0.134164 0.912427 H\n0.885334 0.865836 0.912427 H\n0.365836 0.614666 0.912427 H\n0.114666 0.865836 0.412427 H\n0.885334 0.134164 0.412427 H\n0.865836 0.114666 0.087573 H\n0.365836 0.385334 0.412427 H\n0.134164 0.885334 0.087573 H\n0.614666 0.634164 0.087573 H\n0.385334 0.365836 0.087573 H\n0.634164 0.614666 0.412427 H\n","nsites":36,"nelements":3,"elements":["Cs","Mg","H"],"chemical_system":"Cs-H-Mg","density":3.113348525783669,"density_atomic":0.039419892402321854,"volume":913.2445018515468,"volume_molar":15.276908162350265,"formula_full":"Cs12 Mg4 H20","formula_reduced":"Cs3MgH5","formula_anonymous":"AB3C5","energy":-95.66194957,"energy_per_atom":-2.6572763769444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.08194957,"band_gap":2.6053,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.49e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.542000Z","spacegroup":130},{"id":"mp-12813","created_at":"2022-09-04T14:46:51.897920Z","structure_string":"Yb2 In4 Rh2\n1.0\n2.084319 -5.104579 0.000000\n2.084319 5.104579 0.000000\n0.000000 0.000000 8.355690\nYb In Rh\n2 4 2\ndirect\n0.066062 0.933938 0.250000 Yb\n0.933938 0.066062 0.750000 Yb\n0.645845 0.354155 0.549575 In\n0.354155 0.645845 0.450425 In\n0.645845 0.354155 0.950425 In\n0.354155 0.645845 0.049575 In\n0.219516 0.780484 0.750000 Rh\n0.780484 0.219516 0.250000 Rh\n","nsites":8,"nelements":3,"elements":["Yb","In","Rh"],"chemical_system":"In-Rh-Yb","density":9.443518502007185,"density_atomic":0.04499389135750002,"volume":177.80191396284914,"volume_molar":13.384351916021089,"formula_full":"Yb2 In4 Rh2","formula_reduced":"YbIn2Rh","formula_anonymous":"ABC2","energy":-33.55276428,"energy_per_atom":-4.194095535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.55276428,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012642,"is_theoretical":false,"updated_at":"2021-11-28T01:37:57.802000Z","spacegroup":63},{"id":"mp-1063118","created_at":"2022-09-04T14:46:51.899500Z","structure_string":"Si2 O1\n1.0\n1.546764 3.516228 0.000000\n-1.546764 3.516228 0.000000\n0.000000 1.823669 4.066673\nSi O\n2 1\ndirect\n0.652357 0.652357 0.937749 Si\n0.288871 0.288871 0.206241 Si\n0.725472 0.725472 0.516010 O\n","nsites":3,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.7091801090697425,"density_atomic":0.06781892839716121,"volume":44.23543796551016,"volume_molar":8.879734466951673,"formula_full":"Si2 O1","formula_reduced":"Si2O","formula_anonymous":"AB2","energy":-18.31245285,"energy_per_atom":-6.10415095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.62545285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008014,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.951000Z","spacegroup":8},{"id":"mp-1184124","created_at":"2022-09-04T14:46:51.906342Z","structure_string":"Er2 Cu1 Ir1\n1.0\n0.000000 3.414007 3.414007\n3.414007 0.000000 3.414007\n3.414007 3.414007 0.000000\nEr Cu Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ir\n","nsites":4,"nelements":3,"elements":["Er","Cu","Ir"],"chemical_system":"Cu-Er-Ir","density":12.316425505419172,"density_atomic":0.050261653740723757,"volume":79.5835334156357,"volume_molar":11.981581010178044,"formula_full":"Er2 Cu1 Ir1","formula_reduced":"Er2CuIr","formula_anonymous":"ABC2","energy":-24.65084878,"energy_per_atom":-6.162712195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.65084878,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001445,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.914000Z","spacegroup":225},{"id":"mp-557730","created_at":"2022-09-04T14:46:51.913426Z","structure_string":"Dy2 P6 O18\n1.0\n3.458785 7.221880 0.000000\n-3.458785 7.221880 0.000000\n0.000000 6.175017 8.199049\nDy P O\n2 6 18\ndirect\n0.206017 0.688913 0.754386 Dy\n0.688913 0.206017 0.254386 Dy\n0.186522 0.388199 0.595884 P\n0.622821 0.782585 0.987548 P\n0.194615 0.992013 0.921086 P\n0.388199 0.186522 0.095884 P\n0.782585 0.622821 0.487548 P\n0.992013 0.194615 0.421086 P\n0.188386 0.154434 0.255820 O\n0.351265 0.301366 0.452326 O\n0.933550 0.532641 0.590011 O\n0.448391 0.922606 0.888922 O\n0.521264 0.227249 0.125810 O\n0.301366 0.351265 0.952326 O\n0.843304 0.771419 0.863247 O\n0.807655 0.191994 0.418837 O\n0.227249 0.521264 0.625810 O\n0.034595 0.082241 0.063415 O\n0.616615 0.566140 0.107608 O\n0.771419 0.843304 0.363247 O\n0.191994 0.807655 0.918837 O\n0.566140 0.616615 0.607608 O\n0.154434 0.188386 0.755820 O\n0.082241 0.034595 0.563415 O\n0.922606 0.448391 0.388922 O\n0.532641 0.933550 0.090011 O\n","nsites":26,"nelements":3,"elements":["Dy","P","O"],"chemical_system":"Dy-O-P","density":3.2384493946004334,"density_atomic":0.0634754861420516,"volume":409.60694561384963,"volume_molar":9.487348779847181,"formula_full":"Dy2 P6 O18","formula_reduced":"Dy(PO3)3","formula_anonymous":"AB3C9","energy":-209.11171545,"energy_per_atom":-8.042758286538461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.74571545,"band_gap":5.5999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000939,"is_theoretical":false,"updated_at":"2021-11-28T01:37:40.437000Z","spacegroup":9},{"id":"mp-1104685","created_at":"2022-09-04T14:46:51.915076Z","structure_string":"Tb4 Fe3 B6\n1.0\n-2.665453 -4.616700 0.000000\n-5.330906 0.000000 0.000000\n-2.665453 -1.538900 -7.338353\nTb Fe B\n4 3 6\ndirect\n0.744440 0.744440 0.766681 Tb\n0.255560 0.255560 0.233319 Tb\n0.587821 0.587821 0.236538 Tb\n0.412179 0.412179 0.763462 Tb\n0.000000 0.000000 0.000000 Fe\n0.886524 0.886524 0.340427 Fe\n0.113476 0.113476 0.659573 Fe\n0.500000 0.167273 0.500000 B\n0.832727 0.500000 0.500000 B\n0.167272 0.832728 0.500000 B\n0.167272 0.500000 0.500000 B\n0.832727 0.167272 0.500000 B\n0.500000 0.832728 0.500000 B\n","nsites":13,"nelements":3,"elements":["Tb","Fe","B"],"chemical_system":"B-Fe-Tb","density":7.981578260940865,"density_atomic":0.07198003844735174,"volume":180.60562734359434,"volume_molar":8.366403922394076,"formula_full":"Tb4 Fe3 B6","formula_reduced":"Tb4(FeB2)3","formula_anonymous":"A3B4C6","energy":-89.03467071,"energy_per_atom":-6.848820823846154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.03467071,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9881858,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.885000Z","spacegroup":166},{"id":"mp-1173733","created_at":"2022-09-04T14:46:51.916540Z","structure_string":"Na4 Al4 Si6 H8 O24\n1.0\n6.062210 0.450110 2.642124\n2.414368 9.557204 1.079089\n-0.706686 0.205700 9.850363\nNa Al Si H O\n4 4 6 8 24\ndirect\n0.128560 0.057540 0.438913 Na\n0.432227 0.439384 0.941215 Na\n0.818268 0.557232 0.060901 Na\n0.624227 0.939009 0.558307 Na\n0.244726 0.192933 0.074131 Al\n0.567404 0.692716 0.425129 Al\n0.677915 0.081759 0.806289 Al\n0.735435 0.581539 0.693695 Al\n0.001830 0.999559 0.996459 Si\n0.999389 0.426603 0.312743 Si\n0.246777 0.501522 0.504009 Si\n0.563111 0.926925 0.187413 Si\n0.686698 0.311981 0.575077 Si\n0.511047 0.811945 0.924327 Si\n0.137877 0.111582 0.713859 H\n0.114972 0.783786 0.385411 H\n0.104121 0.610913 0.786228 H\n0.278028 0.213033 0.623382 H\n0.507819 0.374986 0.213477 H\n0.151285 0.712963 0.878179 H\n0.749485 0.283405 0.115536 H\n0.972320 0.875957 0.286383 H\n0.028254 0.136043 0.056941 O\n0.120404 0.366248 0.149748 O\n0.031378 0.542069 0.648859 O\n0.368465 0.078788 0.194818 O\n0.193359 0.443140 0.373428 O\n0.250595 0.122467 0.620899 O\n0.123178 0.621725 0.879525 O\n0.331868 0.638262 0.441762 O\n0.444957 0.363431 0.540204 O\n0.628855 0.376577 0.123716 O\n0.446079 0.207287 0.913763 O\n0.234706 0.860510 0.959540 O\n0.558417 0.812167 0.079296 O\n0.517891 0.866400 0.350449 O\n0.740493 0.144399 0.624834 O\n0.610774 0.705917 0.585229 O\n0.682094 0.417512 0.691075 O\n0.809608 0.577197 0.304870 O\n0.616148 0.644258 0.874977 O\n0.888887 0.310417 0.419821 O\n0.819412 0.941023 0.128051 O\n0.619194 0.918577 0.808348 O\n0.928461 0.041000 0.852332 O\n0.002998 0.877311 0.376454 O\n","nsites":46,"nelements":5,"elements":["Na","Al","Si","H","O"],"chemical_system":"Al-H-Na-O-Si","density":2.186692367150213,"density_atomic":0.0796576099256792,"volume":577.4715063999301,"volume_molar":7.560031948760044,"formula_full":"Na4 Al4 Si6 H8 O24","formula_reduced":"Na2Al2Si3(HO3)4","formula_anonymous":"A2B2C3D4E12","energy":-321.56576007,"energy_per_atom":-6.9905600015217395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-305.07776007,"band_gap":4.363300000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009107,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.181000Z","spacegroup":9}]}