{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=75","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=73","results":[{"id":"mp-1203520","created_at":"2022-09-04T14:41:10.137051Z","structure_string":"Fe4 H48 C20 N4 Cl8 O20\n1.0\n8.838194 0.000000 0.000000\n0.000000 8.468905 0.000000\n0.000000 0.622486 18.248030\nFe H C N Cl O\n4 48 20 4 8 20\ndirect\n0.249268 0.927169 0.586016 Fe\n0.749268 0.072831 0.913984 Fe\n0.750732 0.072831 0.413984 Fe\n0.250732 0.927169 0.086016 Fe\n0.297796 0.588744 0.338334 H\n0.797796 0.411256 0.161666 H\n0.702204 0.411256 0.661666 H\n0.202204 0.588744 0.838334 H\n0.039715 0.597791 0.299769 H\n0.539715 0.402209 0.200231 H\n0.960285 0.402209 0.700231 H\n0.460285 0.597791 0.799769 H\n0.066611 0.684708 0.386824 H\n0.566611 0.315292 0.113176 H\n0.933389 0.315292 0.613176 H\n0.433389 0.684708 0.886824 H\n0.985758 0.490115 0.382270 H\n0.485758 0.509885 0.117730 H\n0.014242 0.509885 0.617730 H\n0.514242 0.490115 0.882270 H\n0.384816 0.426377 0.439293 H\n0.884816 0.573623 0.060707 H\n0.615184 0.573623 0.560707 H\n0.115184 0.426377 0.939293 H\n0.192270 0.388741 0.465808 H\n0.692270 0.611259 0.034192 H\n0.807730 0.611259 0.534192 H\n0.307730 0.388741 0.965808 H\n0.267757 0.586395 0.467916 H\n0.767757 0.413605 0.032084 H\n0.732243 0.413605 0.532084 H\n0.232243 0.586395 0.967916 H\n0.346352 0.310687 0.323827 H\n0.846352 0.689313 0.176173 H\n0.653648 0.689313 0.676173 H\n0.153648 0.310687 0.823827 H\n0.201763 0.385697 0.262348 H\n0.701763 0.614303 0.237652 H\n0.798237 0.614303 0.737652 H\n0.298237 0.385697 0.762348 H\n0.149644 0.271244 0.342591 H\n0.649644 0.728756 0.157409 H\n0.850356 0.728756 0.657409 H\n0.350356 0.271244 0.842591 H\n0.379690 0.799325 0.266276 H\n0.879690 0.200675 0.233724 H\n0.620310 0.200675 0.733724 H\n0.120310 0.799325 0.766276 H\n0.473722 0.786594 0.338310 H\n0.973722 0.213406 0.161690 H\n0.526278 0.213406 0.661690 H\n0.026278 0.786594 0.838310 H\n0.067038 0.574120 0.357580 C\n0.567038 0.425880 0.142420 C\n0.932962 0.425880 0.642420 C\n0.432962 0.574120 0.857580 C\n0.269692 0.474528 0.439635 C\n0.769692 0.525472 0.060365 C\n0.730308 0.525472 0.560365 C\n0.230308 0.474528 0.939635 C\n0.230914 0.357184 0.319536 C\n0.730914 0.642816 0.180464 C\n0.769086 0.642816 0.680464 C\n0.269086 0.357184 0.819536 C\n0.029625 0.084533 0.492730 C\n0.529625 0.915467 0.007270 C\n0.970375 0.915467 0.507270 C\n0.470375 0.084533 0.992730 C\n0.470988 0.945704 0.469991 C\n0.970988 0.054296 0.030009 C\n0.529012 0.054296 0.530009 C\n0.029012 0.945704 0.969991 C\n0.221587 0.504074 0.362092 N\n0.721587 0.495926 0.137908 N\n0.778413 0.495926 0.637908 N\n0.278413 0.504074 0.862092 N\n0.339486 0.692475 0.634308 Cl\n0.839486 0.307525 0.865692 Cl\n0.660514 0.307525 0.365692 Cl\n0.160514 0.692475 0.134308 Cl\n0.153378 0.026708 0.691050 Cl\n0.653378 0.973292 0.808950 Cl\n0.846622 0.973292 0.308950 Cl\n0.346622 0.026708 0.191050 Cl\n0.153856 0.119525 0.522246 O\n0.653856 0.880475 0.977754 O\n0.846144 0.880475 0.477754 O\n0.346144 0.119525 0.022246 O\n0.051445 0.824719 0.547687 O\n0.551445 0.175281 0.952313 O\n0.948555 0.175281 0.452313 O\n0.448555 0.824719 0.047687 O\n0.347846 0.874248 0.482189 O\n0.847846 0.125752 0.017811 O\n0.652154 0.125752 0.517811 O\n0.152154 0.874248 0.982189 O\n0.447547 0.063343 0.587187 O\n0.947547 0.936657 0.912813 O\n0.552453 0.936657 0.412813 O\n0.052453 0.063343 0.087187 O\n0.419264 0.722215 0.303037 O\n0.919264 0.277785 0.196963 O\n0.580736 0.277785 0.696963 O\n0.080736 0.722215 0.803037 O\n","nsites":104,"nelements":6,"elements":["Fe","H","C","N","Cl","O"],"chemical_system":"C-Cl-Fe-H-N-O","density":1.4243832001418109,"density_atomic":0.07614240001188663,"volume":1365.861858619698,"volume_molar":7.909050357041387,"formula_full":"Fe4 H48 C20 N4 Cl8 O20","formula_reduced":"FeH12C5NCl2O5","formula_anonymous":"ABC2D5E5F12","energy":-606.55044384,"energy_per_atom":-5.832215806153846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-577.43044384,"band_gap":1.7834000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9727041,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.337000Z","spacegroup":14},{"id":"mp-1233627","created_at":"2022-09-04T14:47:41.025412Z","structure_string":"Mg1 V1 Cr2 Fe3 P6 O24\n1.0\n8.690525 0.005673 0.245581\n4.311993 -7.545324 -0.034694\n4.109974 -2.675889 -7.284084\nMg V Cr Fe P O\n1 1 2 3 6 24\ndirect\n0.636434 0.125787 0.103996 Mg\n0.269437 0.239782 0.251370 V\n0.029555 0.994318 0.985197 Cr\n0.493077 0.501787 0.512062 Cr\n0.064641 0.643698 0.648023 Fe\n0.465199 0.843782 0.839353 Fe\n0.894580 0.366864 0.372057 Fe\n0.272538 0.249826 0.544145 P\n0.263129 0.944353 0.244404 P\n0.253124 0.551595 0.954094 P\n0.781131 0.445572 0.024646 P\n0.769366 0.032909 0.741501 P\n0.751195 0.745392 0.460410 P\n0.097218 0.117348 0.298456 O\n0.093940 0.492503 0.122953 O\n0.100529 0.303692 0.481060 O\n0.268045 0.083814 0.725744 O\n0.432886 0.203283 0.378991 O\n0.278162 0.414806 0.561507 O\n0.244528 0.935605 0.083807 O\n0.280928 0.756979 0.409834 O\n0.598319 0.592156 0.979160 O\n0.257998 0.566082 0.771352 O\n0.815785 0.246536 0.037458 O\n0.597073 0.981833 0.822369 O\n0.429325 0.005807 0.187747 O\n0.244054 0.741428 0.936834 O\n0.757600 0.432760 0.217857 O\n0.423954 0.376072 0.015504 O\n0.724458 0.238633 0.587177 O\n0.812609 0.043032 0.889492 O\n0.718936 0.585781 0.447994 O\n0.581096 0.813019 0.605059 O\n0.774885 0.897546 0.271286 O\n0.929107 0.654813 0.517641 O\n0.945271 0.503643 0.885923 O\n0.938949 0.897474 0.653848 O\n","nsites":37,"nelements":6,"elements":["Mg","V","Cr","Fe","P","O"],"chemical_system":"Cr-Fe-Mg-O-P-V","density":3.1591587892706974,"density_atomic":0.07679683857266821,"volume":481.79066596588,"volume_molar":7.841651911623434,"formula_full":"Mg1 V1 Cr2 Fe3 P6 O24","formula_reduced":"MgVCr2Fe3(PO4)6","formula_anonymous":"ABC2D3E6F24","energy":-296.63246067,"energy_per_atom":-8.017093531621622,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-267.67846067,"band_gap":0.7658,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.805000Z","spacegroup":1},{"id":"mp-1180020","created_at":"2022-09-04T14:41:15.172785Z","structure_string":"Na2 Mn6 Cu2 H48 S8 O48\n1.0\n9.171681 -6.160170 0.000000\n9.171681 6.160170 0.000000\n5.034197 0.000000 9.834851\nNa Mn Cu H S O\n2 6 2 48 8 48\ndirect\n0.503548 0.503548 0.503548 Na\n0.003548 0.003548 0.003548 Na\n0.971750 0.492539 0.068159 Mn\n0.492539 0.068159 0.971750 Mn\n0.068159 0.971750 0.492539 Mn\n0.568159 0.992539 0.471750 Mn\n0.992539 0.471750 0.568159 Mn\n0.471750 0.568159 0.992539 Mn\n0.272052 0.272052 0.272052 Cu\n0.772052 0.772052 0.772052 Cu\n0.612755 0.295310 0.337811 H\n0.295310 0.337811 0.612755 H\n0.337811 0.612755 0.295310 H\n0.837811 0.795310 0.112755 H\n0.795310 0.112755 0.837811 H\n0.112755 0.837811 0.795310 H\n0.669640 0.239308 0.461562 H\n0.239308 0.461562 0.669640 H\n0.461562 0.669640 0.239308 H\n0.961562 0.739308 0.169640 H\n0.739308 0.169640 0.961562 H\n0.169640 0.961562 0.739308 H\n0.711403 0.634473 0.445583 H\n0.634473 0.445583 0.711403 H\n0.445583 0.711403 0.634473 H\n0.945583 0.134473 0.211403 H\n0.134473 0.211403 0.945583 H\n0.211403 0.945583 0.134473 H\n0.725081 0.608941 0.309376 H\n0.608941 0.309376 0.725081 H\n0.309376 0.725081 0.608941 H\n0.809376 0.108941 0.225081 H\n0.108941 0.225081 0.809376 H\n0.225081 0.809376 0.108941 H\n0.898249 0.392613 0.362182 H\n0.392613 0.362182 0.898249 H\n0.362182 0.898249 0.392613 H\n0.862182 0.892613 0.398249 H\n0.892613 0.398249 0.862182 H\n0.398249 0.862182 0.892613 H\n0.789608 0.382682 0.309288 H\n0.382682 0.309288 0.789608 H\n0.309288 0.789608 0.382682 H\n0.809288 0.882682 0.289608 H\n0.882682 0.289608 0.809288 H\n0.289608 0.809288 0.882682 H\n0.744810 0.466441 0.050991 H\n0.466441 0.050991 0.744810 H\n0.050991 0.744810 0.466441 H\n0.550991 0.966441 0.244810 H\n0.966441 0.244810 0.550991 H\n0.244810 0.550991 0.966441 H\n0.843357 0.311399 0.083257 H\n0.311399 0.083257 0.843357 H\n0.083257 0.843357 0.311399 H\n0.583257 0.811399 0.343357 H\n0.811399 0.343357 0.583257 H\n0.343357 0.583257 0.811399 H\n0.182281 0.182281 0.182281 S\n0.682281 0.682281 0.682281 S\n0.676263 0.734577 0.002208 S\n0.734577 0.002208 0.676263 S\n0.002208 0.676263 0.734577 S\n0.502208 0.234577 0.176263 S\n0.234577 0.176263 0.502208 S\n0.176263 0.502208 0.234577 S\n0.648657 0.323619 0.389821 O\n0.323619 0.389821 0.648657 O\n0.389821 0.648657 0.323619 O\n0.889821 0.823619 0.148657 O\n0.823619 0.148657 0.889821 O\n0.148657 0.889821 0.823619 O\n0.659087 0.650000 0.382398 O\n0.650000 0.382398 0.659087 O\n0.382398 0.659087 0.650000 O\n0.882398 0.150000 0.159087 O\n0.150000 0.159087 0.882398 O\n0.159087 0.882398 0.150000 O\n0.860871 0.430259 0.282014 O\n0.430259 0.282014 0.860871 O\n0.282014 0.860871 0.430259 O\n0.782014 0.930259 0.360871 O\n0.930259 0.360871 0.782014 O\n0.360871 0.782014 0.930259 O\n0.790097 0.680641 0.071615 O\n0.680641 0.071615 0.790098 O\n0.071615 0.790098 0.680641 O\n0.571615 0.180641 0.290097 O\n0.180641 0.290097 0.571615 O\n0.290097 0.571615 0.180641 O\n0.101814 0.564038 0.121531 O\n0.564038 0.121531 0.101814 O\n0.121531 0.101814 0.564038 O\n0.621531 0.064038 0.601814 O\n0.064038 0.601814 0.621531 O\n0.601814 0.621531 0.064038 O\n0.839069 0.409321 0.026797 O\n0.409321 0.026797 0.839069 O\n0.026797 0.839069 0.409321 O\n0.526797 0.909321 0.339069 O\n0.909321 0.339069 0.526797 O\n0.339069 0.526797 0.909321 O\n0.853548 0.055140 0.576159 O\n0.055140 0.576159 0.853548 O\n0.576159 0.853548 0.055140 O\n0.076159 0.555140 0.353548 O\n0.555140 0.353548 0.076159 O\n0.353548 0.076159 0.555140 O\n0.118524 0.287921 0.069688 O\n0.287921 0.069688 0.118524 O\n0.069688 0.118524 0.287921 O\n0.569688 0.787921 0.618524 O\n0.787921 0.618524 0.569688 O\n0.618524 0.569688 0.787921 O\n","nsites":114,"nelements":6,"elements":["Na","Mn","Cu","H","S","O"],"chemical_system":"Cu-H-Mn-Na-O-S","density":2.3542250054874154,"density_atomic":0.10258064665716023,"volume":1111.3207385112803,"volume_molar":5.870640277914108,"formula_full":"Na2 Mn6 Cu2 H48 S8 O48","formula_reduced":"NaMn3CuH24(SO6)4","formula_anonymous":"ABC3D4E24F24","energy":-666.49990102,"energy_per_atom":-5.8464903598245614,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-623.51590102,"band_gap":4.2021,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.006684,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.354000Z","spacegroup":161},{"id":"mp-1200870","created_at":"2022-09-04T14:41:16.340380Z","structure_string":"Te2 As2 H2 Xe2 N2 F22\n1.0\n5.706633 0.000000 0.000000\n0.491589 7.425616 0.000000\n1.194457 0.431471 12.802934\nTe As H Xe N F\n2 2 2 2 2 22\ndirect\n0.276638 0.255153 0.396017 Te\n0.723362 0.744847 0.603983 Te\n0.111015 0.245398 0.852479 As\n0.888985 0.754602 0.147521 As\n0.464888 0.478284 0.262159 H\n0.535112 0.521716 0.737841 H\n0.386096 0.260613 0.121510 Xe\n0.613904 0.739387 0.878490 Xe\n0.493656 0.338452 0.267324 N\n0.506344 0.661548 0.732676 N\n0.104641 0.178857 0.517508 F\n0.895359 0.821143 0.482492 F\n0.991218 0.313723 0.335801 F\n0.008782 0.686277 0.664199 F\n0.272065 0.489677 0.446416 F\n0.727935 0.510323 0.553584 F\n0.286742 0.023982 0.342301 F\n0.713258 0.976018 0.657699 F\n0.553524 0.194608 0.460248 F\n0.446476 0.805392 0.539752 F\n0.342022 0.275121 0.753237 F\n0.657978 0.724879 0.246763 F\n0.096947 0.021475 0.816212 F\n0.903053 0.978525 0.183788 F\n0.896008 0.213049 0.958261 F\n0.103992 0.786951 0.041739 F\n0.894257 0.327722 0.771149 F\n0.105743 0.672278 0.228851 F\n0.148373 0.465431 0.894486 F\n0.851627 0.534569 0.105514 F\n0.335830 0.163353 0.941749 F\n0.664170 0.836647 0.058251 F\n","nsites":32,"nelements":6,"elements":["Te","As","H","Xe","N","F"],"chemical_system":"As-F-H-N-Te-Xe","density":3.414638683989905,"density_atomic":0.05898316072143668,"volume":542.5277250083006,"volume_molar":10.209932269382994,"formula_full":"Te2 As2 H2 Xe2 N2 F22","formula_reduced":"TeAsHXeNF11","formula_anonymous":"ABCDEF11","energy":-138.48524443999997,"energy_per_atom":-4.327663888749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.32124444,"band_gap":2.4156,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0014888,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.290000Z","spacegroup":2},{"id":"mp-699459","created_at":"2022-09-04T14:47:40.071813Z","structure_string":"Cs2 Li2 H8 S4 N4 O12\n1.0\n-5.595736 0.000000 0.000000\n-0.469126 -8.038934 0.000000\n2.334421 2.525255 9.376918\nCs Li H S N O\n2 2 8 4 4 12\ndirect\n0.802875 0.242026 0.085028 Cs\n0.197125 0.757974 0.914972 Cs\n0.645508 0.387326 0.708751 Li\n0.354492 0.612674 0.291249 Li\n0.098471 0.270418 0.504546 H\n0.901529 0.729582 0.495454 H\n0.200622 0.464638 0.512449 H\n0.799378 0.535362 0.487551 H\n0.286230 0.031232 0.645528 H\n0.713770 0.968768 0.354472 H\n0.981686 0.046953 0.640412 H\n0.018314 0.953047 0.359588 H\n0.392217 0.256179 0.383704 S\n0.607783 0.743821 0.616296 S\n0.198252 0.251618 0.814847 S\n0.801748 0.748382 0.185153 S\n0.149282 0.344831 0.445564 N\n0.850718 0.655169 0.554436 N\n0.140127 0.114073 0.653262 N\n0.859873 0.885927 0.346738 N\n0.316545 0.080775 0.299989 O\n0.683455 0.919225 0.700011 O\n0.437811 0.368092 0.296706 O\n0.562189 0.631908 0.703294 O\n0.604764 0.257515 0.504496 O\n0.395236 0.742485 0.495504 O\n0.416670 0.348126 0.819418 O\n0.583330 0.651874 0.180582 O\n0.243213 0.157260 0.925520 O\n0.756787 0.842740 0.074480 O\n0.977445 0.359947 0.816655 O\n0.022555 0.640053 0.183345 O\n","nsites":32,"nelements":6,"elements":["Cs","Li","H","S","N","O"],"chemical_system":"Cs-H-Li-N-O-S","density":2.6141165086073865,"density_atomic":0.07586372796210931,"volume":421.80895745042517,"volume_molar":7.938102861235348,"formula_full":"Cs2 Li2 H8 S4 N4 O12","formula_reduced":"CsLiH4S2(NO3)2","formula_anonymous":"ABC2D2E4F6","energy":-188.73597927,"energy_per_atom":-5.8979993521875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-179.04797927,"band_gap":5.5265,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006283,"is_theoretical":false,"updated_at":"2021-11-28T01:38:13.869000Z","spacegroup":2},{"id":"mp-693746","created_at":"2022-09-04T14:41:18.597846Z","structure_string":"Na17 Zr7 Sc5 Si6 P12 O72\n1.0\n9.168175 0.000000 0.000000\n-4.537151 7.967955 0.000000\n-0.100068 -0.183559 22.459853\nNa Zr Sc Si P O\n17 7 5 6 12 72\ndirect\n0.325179 0.690578 0.321402 Na\n0.827408 0.219579 0.029411 Na\n0.886952 0.766107 0.126304 Na\n0.675883 0.305414 0.173569 Na\n0.660083 0.342915 0.663336 Na\n0.561640 0.471504 0.294816 Na\n0.306300 0.277192 0.080505 Na\n0.220282 0.432986 0.463386 Na\n0.004884 0.985609 0.502641 Na\n0.789740 0.579447 0.540366 Na\n0.884256 0.129722 0.626106 Na\n0.657661 0.954968 0.419298 Na\n0.541016 0.090899 0.798033 Na\n0.337954 0.647253 0.836731 Na\n0.095244 0.225254 0.882166 Na\n0.189334 0.797138 0.961137 Na\n0.996345 0.627483 0.750799 Na\n0.621788 0.812227 0.047039 Zr\n0.059776 0.528424 0.121805 Zr\n0.951353 0.481264 0.379344 Zr\n0.381515 0.184216 0.453909 Zr\n0.269070 0.129320 0.217095 Zr\n0.283907 0.146433 0.711399 Zr\n0.715326 0.850054 0.785166 Zr\n0.728241 0.870029 0.281915 Sc\n0.595517 0.793863 0.551152 Sc\n0.071523 0.538321 0.615187 Sc\n0.928822 0.464164 0.882607 Sc\n0.395955 0.200253 0.946548 Sc\n0.907030 0.103367 0.153756 Si\n0.984546 0.700838 0.250945 Si\n0.233935 0.763403 0.485998 Si\n0.335039 0.374984 0.583087 Si\n0.566202 0.429864 0.818878 Si\n0.663004 0.041220 0.915590 Si\n0.764106 0.524083 0.013806 P\n0.569019 0.137578 0.319671 P\n0.340309 0.963838 0.084596 P\n0.442384 0.572413 0.182389 P\n0.092081 0.192281 0.348651 P\n0.902450 0.804054 0.650957 P\n0.659350 0.625581 0.418002 P\n0.772488 0.237252 0.514031 P\n0.432168 0.863730 0.681026 P\n0.233870 0.474868 0.985914 P\n0.992393 0.290767 0.750592 P\n0.107121 0.903137 0.844729 P\n0.263415 0.537849 0.163686 O\n0.108689 0.446420 0.037403 O\n0.829910 0.983692 0.094234 O\n0.183815 0.789679 0.098015 O\n0.801654 0.014249 0.212656 O\n0.904775 0.277805 0.139371 O\n0.043117 0.621755 0.304696 O\n0.947989 0.586180 0.189789 O\n0.840445 0.494876 0.072177 O\n0.747770 0.284976 0.331780 O\n0.565710 0.968060 0.316200 O\n0.493918 0.940384 0.075242 O\n0.815816 0.709513 0.264649 O\n0.596183 0.211353 0.496844 O\n0.751225 0.683603 0.025983 O\n0.591584 0.367681 0.003872 O\n0.506368 0.181995 0.261312 O\n0.456524 0.129938 0.371910 O\n0.382389 0.088938 0.138079 O\n0.164202 0.647150 0.424563 O\n0.502028 0.455504 0.432579 O\n0.299039 0.036667 0.029518 O\n0.106093 0.666166 0.540625 O\n0.235883 0.941025 0.475102 O\n0.437431 0.400452 0.191150 O\n0.562605 0.664276 0.130774 O\n0.379757 0.287236 0.638155 O\n0.140916 0.889458 0.236365 O\n0.491052 0.668819 0.242232 O\n0.282236 0.250560 0.523765 O\n0.207874 0.213257 0.294939 O\n0.168171 0.167556 0.407121 O\n0.081786 0.948098 0.664633 O\n0.896080 0.631697 0.646424 O\n0.101270 0.138413 0.160081 O\n0.802766 0.586650 0.402772 O\n0.169502 0.393608 0.595959 O\n0.932169 0.880087 0.827226 O\n0.095159 0.362506 0.356377 O\n0.914134 0.043600 0.340625 O\n0.843486 0.846687 0.591852 O\n0.790016 0.795458 0.703389 O\n0.721729 0.749367 0.471976 O\n0.495305 0.311366 0.758246 O\n0.832827 0.121750 0.764018 O\n0.615682 0.704272 0.364865 O\n0.441677 0.338259 0.874449 O\n0.570299 0.608155 0.807097 O\n0.768811 0.067393 0.522014 O\n0.891968 0.331809 0.461841 O\n0.696388 0.959913 0.975414 O\n0.503062 0.553063 0.568729 O\n0.825668 0.339315 0.573406 O\n0.625670 0.918790 0.857371 O\n0.551021 0.884734 0.629374 O\n0.498504 0.833137 0.741150 O\n0.403768 0.626502 0.004843 O\n0.244291 0.312806 0.979638 O\n0.422223 0.789496 0.496272 O\n0.135076 0.251758 0.735159 O\n0.496861 0.060601 0.922421 O\n0.435263 0.034097 0.689529 O\n0.251971 0.717715 0.671181 O\n0.174987 0.517918 0.927067 O\n0.051700 0.411764 0.805431 O\n0.952189 0.372675 0.697139 O\n0.098049 0.730854 0.854330 O\n0.225719 0.988894 0.791526 O\n0.834194 0.224174 0.908105 O\n0.164637 0.008990 0.902552 O\n0.885114 0.557153 0.961635 O\n0.755088 0.455604 0.828439 O\n","nsites":119,"nelements":6,"elements":["Na","Zr","Sc","Si","P","O"],"chemical_system":"Na-O-P-Sc-Si-Zr","density":2.9819036024162213,"density_atomic":0.07252876539030344,"volume":1640.72832840347,"volume_molar":8.303106674424539,"formula_full":"Na17 Zr7 Sc5 Si6 P12 O72","formula_reduced":"Na17Zr7Sc5Si6(PO6)12","formula_anonymous":"A5B6C7D12E17F72","energy":-936.77225388,"energy_per_atom":-7.872035746890757,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-887.30825388,"band_gap":4.1506,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0106069,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.021000Z","spacegroup":1},{"id":"mp-699447","created_at":"2022-09-04T14:41:18.720279Z","structure_string":"Rb4 Li4 H16 S8 N8 O24\n1.0\n7.947459 0.000000 0.000000\n-1.413756 9.877302 0.000000\n-0.703651 -3.690878 10.289860\nRb Li H S N O\n4 4 16 8 8 24\ndirect\n0.759320 0.102051 0.145117 Rb\n0.240680 0.897949 0.854883 Rb\n0.223190 0.904574 0.339829 Rb\n0.776810 0.095426 0.660171 Rb\n0.889862 0.723600 0.052370 Li\n0.110138 0.276400 0.947630 Li\n0.115655 0.289721 0.457257 Li\n0.884345 0.710279 0.542743 Li\n0.548721 0.656538 0.849731 H\n0.451279 0.343462 0.150269 H\n0.690804 0.583926 0.751675 H\n0.309196 0.416074 0.248325 H\n0.534939 0.656395 0.326340 H\n0.465061 0.343605 0.673660 H\n0.542884 0.662146 0.173215 H\n0.457116 0.337854 0.826785 H\n0.501981 0.319961 0.387358 H\n0.498019 0.680039 0.612642 H\n0.557274 0.186758 0.435253 H\n0.442726 0.813242 0.564747 H\n0.223690 0.508211 0.783299 H\n0.776310 0.491789 0.216701 H\n0.026616 0.525710 0.825336 H\n0.973384 0.474290 0.174664 H\n0.746338 0.825528 0.826847 S\n0.253662 0.174472 0.173153 S\n0.732030 0.834150 0.322721 S\n0.267970 0.165850 0.677279 S\n0.759354 0.381037 0.508894 S\n0.240646 0.618963 0.491106 S\n0.233667 0.609250 0.996709 S\n0.766333 0.390750 0.003291 S\n0.619243 0.665477 0.775886 N\n0.380757 0.334523 0.224114 N\n0.613483 0.671248 0.258834 N\n0.386517 0.328752 0.741166 N\n0.557059 0.295365 0.464099 N\n0.442941 0.704635 0.535901 N\n0.152822 0.574655 0.843382 N\n0.847178 0.425345 0.156618 N\n0.630957 0.930709 0.856381 O\n0.369043 0.069291 0.143619 O\n0.842759 0.828656 0.717218 O\n0.157241 0.171344 0.282782 O\n0.864259 0.839566 0.942114 O\n0.135741 0.160434 0.057886 O\n0.623380 0.945235 0.359883 O\n0.376620 0.054765 0.640117 O\n0.836165 0.829551 0.437102 O\n0.163835 0.170449 0.562898 O\n0.836707 0.849468 0.220139 O\n0.163293 0.150532 0.779861 O\n0.761887 0.515156 0.480860 O\n0.238113 0.484844 0.519140 O\n0.869406 0.286330 0.431794 O\n0.130594 0.713670 0.568206 O\n0.792542 0.401372 0.648173 O\n0.207458 0.598628 0.351827 O\n0.412329 0.675752 0.002657 O\n0.587671 0.324248 0.997343 O\n0.131767 0.710440 0.074976 O\n0.868233 0.289560 0.925024 O\n0.220215 0.476573 0.030085 O\n0.779785 0.523427 0.969915 O\n","nsites":64,"nelements":6,"elements":["Rb","Li","H","S","N","O"],"chemical_system":"H-Li-N-O-Rb-S","density":2.3401188695595447,"density_atomic":0.07923259487050889,"volume":807.7483781087346,"volume_molar":7.600585049425786,"formula_full":"Rb4 Li4 H16 S8 N8 O24","formula_reduced":"RbLiH4S2(NO3)2","formula_anonymous":"ABC2D2E4F6","energy":-377.90447203,"energy_per_atom":-5.90475737546875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-358.52847203,"band_gap":5.2525,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006147,"is_theoretical":false,"updated_at":"2021-11-28T01:35:19.342000Z","spacegroup":2},{"id":"mp-703426","created_at":"2022-09-04T14:47:40.502050Z","structure_string":"Mg2 H40 C8 Br4 N16 O12\n1.0\n11.848716 0.000000 0.000000\n0.000000 9.899664 0.000000\n0.000000 3.747420 10.120230\nMg H C Br N O\n2 40 8 4 16 12\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.709760 0.109943 0.065674 H\n0.209760 0.390057 0.934326 H\n0.290240 0.890057 0.934326 H\n0.790240 0.609943 0.065674 H\n0.785270 0.927616 0.576719 H\n0.285270 0.572384 0.423281 H\n0.214730 0.072384 0.423281 H\n0.714730 0.427616 0.576719 H\n0.683501 0.916982 0.924063 H\n0.183501 0.583018 0.075937 H\n0.316499 0.083018 0.075937 H\n0.816499 0.416982 0.924063 H\n0.567103 0.559615 0.077104 H\n0.067103 0.940385 0.922896 H\n0.432897 0.440385 0.922896 H\n0.932897 0.059615 0.077104 H\n0.414366 0.865474 0.000463 H\n0.914366 0.634526 0.999537 H\n0.585634 0.134526 0.999537 H\n0.085634 0.365474 0.000463 H\n0.393373 0.567429 0.979754 H\n0.893373 0.932571 0.020246 H\n0.606627 0.432571 0.020246 H\n0.106627 0.067429 0.979754 H\n0.873053 0.441480 0.452810 H\n0.373053 0.058520 0.547190 H\n0.126947 0.558520 0.547190 H\n0.626947 0.941480 0.452810 H\n0.596871 0.880433 0.503956 H\n0.096871 0.619567 0.496044 H\n0.403129 0.119567 0.496044 H\n0.903129 0.380433 0.503956 H\n0.759237 0.478583 0.733760 H\n0.259237 0.021417 0.266240 H\n0.240763 0.521417 0.266240 H\n0.740763 0.978583 0.733760 H\n0.646527 0.285089 0.640549 H\n0.146527 0.214911 0.359451 H\n0.353473 0.714911 0.359451 H\n0.853473 0.785089 0.640549 H\n0.611600 0.731508 0.290915 C\n0.111600 0.768492 0.709085 C\n0.388400 0.268492 0.709085 C\n0.888400 0.231508 0.290915 C\n0.473076 0.677211 0.709431 C\n0.973076 0.822789 0.290569 C\n0.526924 0.322789 0.290569 C\n0.026924 0.177211 0.709431 C\n0.212407 0.437427 0.160507 Br\n0.712407 0.062573 0.839493 Br\n0.787593 0.562573 0.839493 Br\n0.287593 0.937427 0.160507 Br\n0.590287 0.855057 0.193747 N\n0.090287 0.644943 0.806253 N\n0.409713 0.144943 0.806253 N\n0.909713 0.355057 0.193747 N\n0.647971 0.720742 0.177898 N\n0.147971 0.779258 0.822102 N\n0.352029 0.279258 0.822102 N\n0.852029 0.220742 0.177898 N\n0.461204 0.526752 0.946022 N\n0.961204 0.973248 0.053978 N\n0.538796 0.473248 0.053978 N\n0.038796 0.026752 0.946022 N\n0.168569 0.335348 0.021329 N\n0.668569 0.164652 0.978671 N\n0.831431 0.664652 0.978671 N\n0.331431 0.835348 0.021329 N\n0.600192 0.664730 0.413187 O\n0.100192 0.835270 0.586813 O\n0.399808 0.335270 0.586813 O\n0.899808 0.164730 0.413187 O\n0.483270 0.585885 0.665042 O\n0.983270 0.914115 0.334958 O\n0.516730 0.414115 0.334958 O\n0.016730 0.085885 0.665042 O\n0.644204 0.378796 0.569867 O\n0.144204 0.121204 0.430133 O\n0.355796 0.621204 0.430133 O\n0.855796 0.878796 0.569867 O\n","nsites":82,"nelements":6,"elements":["Mg","H","C","Br","N","O"],"chemical_system":"Br-C-H-Mg-N-O","density":1.2879496535168784,"density_atomic":0.06907672275975225,"volume":1187.085847792674,"volume_molar":8.718046426355388,"formula_full":"Mg2 H40 C8 Br4 N16 O12","formula_reduced":"MgH20C4Br2(N4O3)2","formula_anonymous":"AB2C4D6E8F20","energy":-430.93995408,"energy_per_atom":-5.255365293658537,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-414.78395408,"band_gap":1.5996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0001101,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.570000Z","spacegroup":14},{"id":"mp-1247898","created_at":"2022-09-04T14:41:19.081216Z","structure_string":"Al8 P8 H34 N7 O36 F5\n1.0\n9.563507 0.001638 0.006430\n0.001406 9.681688 0.006174\n0.006842 0.006517 9.969541\nAl P H N O F\n8 8 34 7 36 5\ndirect\n0.104568 0.258155 0.359496 Al\n0.156399 0.470853 0.823500 Al\n0.344454 0.528054 0.323751 Al\n0.390018 0.737408 0.861944 Al\n0.608097 0.238826 0.634741 Al\n0.655607 0.027670 0.173348 Al\n0.845150 0.974651 0.670554 Al\n0.890073 0.761968 0.136225 Al\n0.072307 0.790512 0.853595 P\n0.076775 0.486482 0.139345 P\n0.416290 0.513060 0.640594 P\n0.425505 0.215324 0.354374 P\n0.570940 0.715395 0.143949 P\n0.577694 0.016320 0.856727 P\n0.921835 0.982702 0.357903 P\n0.926593 0.290753 0.641726 P\n0.004082 0.097103 0.056804 H\n0.029233 0.257010 0.992154 H\n0.068527 0.662981 0.629072 H\n0.142135 0.686305 0.465074 H\n0.148744 0.030555 0.697647 H\n0.174579 0.982369 0.225003 H\n0.241651 0.894011 0.090424 H\n0.237690 0.171909 0.749463 H\n0.254982 0.829387 0.248515 H\n0.259853 0.111753 0.590437 H\n0.288499 0.564281 0.009600 H\n0.323365 0.021001 0.724635 H\n0.350208 0.969805 0.203057 H\n0.368815 0.304988 0.958384 H\n0.452189 0.362012 0.099982 H\n0.481245 0.734230 0.499112 H\n0.492687 0.897826 0.556632 H\n0.507906 0.401579 0.940330 H\n0.526147 0.239720 0.002958 H\n0.549207 0.857616 0.397703 H\n0.636058 0.807127 0.540865 H\n0.649340 0.473377 0.301989 H\n0.673858 0.522031 0.770713 H\n0.708246 0.063574 0.487891 H\n0.740107 0.608098 0.906518 H\n0.738781 0.331738 0.251602 H\n0.762863 0.672149 0.748430 H\n0.759633 0.393968 0.410364 H\n0.790409 0.937060 0.987931 H\n0.823682 0.483793 0.275558 H\n0.848286 0.526354 0.797050 H\n0.869100 0.198165 0.038177 H\n0.950758 0.136996 0.896784 H\n0.028851 0.570374 0.492486 H\n0.242770 0.083326 0.688969 N\n0.255344 0.919157 0.190327 N\n0.465296 0.328028 0.001750 N\n0.538354 0.824902 0.496695 N\n0.743223 0.420904 0.311260 N\n0.755979 0.581985 0.807345 N\n0.964635 0.171718 0.994474 N\n0.003674 0.904469 0.769930 O\n0.996237 0.765272 0.986283 O\n0.027143 0.090819 0.298654 O\n0.054379 0.663822 0.520781 O\n0.048794 0.344620 0.209016 O\n0.053540 0.465560 0.987681 O\n0.076189 0.653813 0.768977 O\n0.225640 0.834882 0.885783 O\n0.230471 0.532163 0.165507 O\n0.266880 0.464678 0.670094 O\n0.270879 0.170766 0.382903 O\n0.301903 0.569245 0.911140 O\n0.425299 0.354995 0.278756 O\n0.439075 0.536314 0.488767 O\n0.445026 0.656449 0.708164 O\n0.471767 0.908849 0.800801 O\n0.497445 0.229678 0.490968 O\n0.494760 0.103682 0.267913 O\n0.497992 0.606616 0.231900 O\n0.501062 0.727633 0.005812 O\n0.528577 0.410740 0.695397 O\n0.546570 0.157041 0.786407 O\n0.553835 0.038829 0.008086 O\n0.568961 0.855384 0.218113 O\n0.694774 0.069701 0.586391 O\n0.724527 0.666802 0.119518 O\n0.732366 0.974252 0.831778 O\n0.767468 0.027094 0.331778 O\n0.772100 0.335427 0.614522 O\n0.804134 0.931363 0.086298 O\n0.929883 0.150225 0.714853 O\n0.946786 0.969248 0.508830 O\n0.952955 0.843708 0.286621 O\n0.969802 0.591025 0.196243 O\n0.998382 0.283886 0.503474 O\n0.994276 0.402009 0.730588 O\n0.195402 0.430633 0.402336 F\n0.217650 0.295102 0.868290 F\n0.264282 0.697296 0.370543 F\n0.720878 0.203149 0.135626 F\n0.778616 0.800365 0.637537 F\n","nsites":98,"nelements":6,"elements":["Al","P","H","N","O","F"],"chemical_system":"Al-F-H-N-O-P","density":2.279074769980216,"density_atomic":0.10616540992387768,"volume":923.0878500847648,"volume_molar":5.672413231690033,"formula_full":"Al8 P8 H34 N7 O36 F5","formula_reduced":"Al8P8H34N7O36F5","formula_anonymous":"A5B7C8D8E34F36","energy":-634.97299885,"energy_per_atom":-6.479316314795918,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-605.40399885,"band_gap":4.9926,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072618,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.651000Z","spacegroup":1},{"id":"mp-600228","created_at":"2022-09-04T14:41:19.935989Z","structure_string":"H32 Ru4 C20 N4 Cl12 O12\n1.0\n9.998660 0.000000 0.000000\n0.000000 11.766379 0.000000\n0.000000 5.735877 10.305328\nH Ru C N Cl O\n32 4 20 4 12 12\ndirect\n0.656350 0.477433 0.538903 H\n0.386634 0.499226 0.325566 H\n0.269300 0.738686 0.621669 H\n0.613366 0.500774 0.674434 H\n0.572919 0.344243 0.349674 H\n0.724905 0.421821 0.360084 H\n0.927081 0.344243 0.849674 H\n0.393558 0.659276 0.308177 H\n0.427081 0.655757 0.650326 H\n0.653978 0.352150 0.156945 H\n0.153978 0.647850 0.343055 H\n0.730700 0.261314 0.378331 H\n0.156350 0.522567 0.961097 H\n0.846022 0.352150 0.656945 H\n0.224905 0.578179 0.139916 H\n0.149060 0.496963 0.360474 H\n0.346022 0.647850 0.843055 H\n0.843650 0.477433 0.038903 H\n0.775095 0.421821 0.860084 H\n0.275095 0.578179 0.639916 H\n0.106442 0.659276 0.808177 H\n0.886634 0.500774 0.174434 H\n0.072919 0.655757 0.150326 H\n0.343650 0.522567 0.461097 H\n0.893558 0.340724 0.191823 H\n0.649060 0.503037 0.139526 H\n0.769300 0.261314 0.878331 H\n0.850940 0.503037 0.639526 H\n0.113366 0.499226 0.825566 H\n0.350940 0.496963 0.860474 H\n0.230700 0.738686 0.121669 H\n0.606442 0.340724 0.691823 H\n0.373722 0.171633 0.137804 Ru\n0.626278 0.828367 0.862196 Ru\n0.126278 0.171633 0.637804 Ru\n0.873722 0.828367 0.362196 Ru\n0.879895 0.985923 0.368910 C\n0.365552 0.086606 0.321421 C\n0.813816 0.813586 0.879985 C\n0.865552 0.913394 0.178579 C\n0.158569 0.565576 0.855265 C\n0.634448 0.913394 0.678579 C\n0.680456 0.355931 0.329392 C\n0.620105 0.985923 0.868910 C\n0.319544 0.644069 0.670608 C\n0.658569 0.434424 0.644735 C\n0.186184 0.186414 0.120015 C\n0.686184 0.813586 0.379985 C\n0.379895 0.014077 0.131090 C\n0.313816 0.186414 0.620015 C\n0.819544 0.355931 0.829392 C\n0.841431 0.434424 0.144735 C\n0.120105 0.014077 0.631090 C\n0.341431 0.565576 0.355265 C\n0.180456 0.644069 0.170608 C\n0.134448 0.086606 0.821421 C\n0.301166 0.586319 0.813555 N\n0.801166 0.413681 0.686445 N\n0.198834 0.586319 0.313555 N\n0.698834 0.413681 0.186445 N\n0.380399 0.838012 0.846577 Cl\n0.121339 0.380282 0.634932 Cl\n0.619601 0.161988 0.153423 Cl\n0.878661 0.619718 0.365068 Cl\n0.109388 0.288838 0.400897 Cl\n0.119601 0.838012 0.346577 Cl\n0.890612 0.711162 0.599103 Cl\n0.880399 0.161988 0.653423 Cl\n0.378661 0.380282 0.134932 Cl\n0.609388 0.711162 0.099103 Cl\n0.621339 0.619718 0.865068 Cl\n0.390612 0.288838 0.900897 Cl\n0.928468 0.801104 0.892912 O\n0.613085 0.080455 0.875206 O\n0.862440 0.964100 0.066634 O\n0.137560 0.035900 0.933366 O\n0.637560 0.964100 0.566634 O\n0.386915 0.919545 0.124794 O\n0.362440 0.035900 0.433366 O\n0.886915 0.080455 0.375206 O\n0.428468 0.198896 0.607088 O\n0.571532 0.801104 0.392912 O\n0.113085 0.919545 0.624794 O\n0.071532 0.198896 0.107088 O\n","nsites":84,"nelements":6,"elements":["H","Ru","C","N","Cl","O"],"chemical_system":"C-Cl-H-N-O-Ru","density":1.849276845327579,"density_atomic":0.06928398088294947,"volume":1212.4014661038636,"volume_molar":8.691967007747424,"formula_full":"H32 Ru4 C20 N4 Cl12 O12","formula_reduced":"H8RuC5N(ClO)3","formula_anonymous":"ABC3D3E5F8","energy":-506.47724627,"energy_per_atom":-6.02949102702381,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-489.42124627,"band_gap":3.2199,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003731,"is_theoretical":false,"updated_at":"2021-11-28T01:35:08.310000Z","spacegroup":14},{"id":"mp-1196440","created_at":"2022-09-04T14:41:20.142106Z","structure_string":"Zn4 Si16 H140 C52 Cl4 O4\n1.0\n-9.793321 0.000000 2.649780\n-0.072414 0.000000 -13.365889\n0.000000 -21.645581 0.000000\nZn Si H C Cl O\n4 16 140 52 4 4\ndirect\n0.423100 0.423090 0.562164 Zn\n0.923100 0.923090 0.937836 Zn\n0.576900 0.576910 0.437836 Zn\n0.076900 0.076910 0.062164 Zn\n0.389741 0.268896 0.622705 Si\n0.889741 0.768896 0.877295 Si\n0.610259 0.731104 0.377295 Si\n0.110259 0.231104 0.122705 Si\n0.609685 0.245750 0.640519 Si\n0.109685 0.745750 0.859481 Si\n0.390315 0.754250 0.359481 Si\n0.890315 0.254250 0.140519 Si\n0.288575 0.280875 0.720143 Si\n0.788575 0.780875 0.779857 Si\n0.711425 0.719125 0.279857 Si\n0.211425 0.219125 0.220143 Si\n0.257300 0.129389 0.564664 Si\n0.757300 0.629389 0.935336 Si\n0.742700 0.870611 0.435336 Si\n0.242700 0.370611 0.064664 Si\n0.561270 0.051362 0.638917 H\n0.061270 0.551362 0.861083 H\n0.438730 0.948638 0.361083 H\n0.938730 0.448638 0.138917 H\n0.562333 0.097000 0.716197 H\n0.062333 0.597000 0.783803 H\n0.437667 0.903000 0.283803 H\n0.937667 0.403000 0.216197 H\n0.718543 0.110537 0.675523 H\n0.218543 0.610537 0.824477 H\n0.281457 0.889463 0.324477 H\n0.781457 0.389463 0.175523 H\n0.670111 0.208903 0.531394 H\n0.170111 0.708903 0.968606 H\n0.329888 0.791097 0.468606 H\n0.829889 0.291097 0.031394 H\n0.816571 0.254777 0.578770 H\n0.316571 0.754777 0.921230 H\n0.183429 0.745223 0.421230 H\n0.683429 0.245223 0.078770 H\n0.727644 0.343422 0.548736 H\n0.227644 0.843422 0.951264 H\n0.272356 0.656578 0.451264 H\n0.772356 0.156578 0.048736 H\n0.657520 0.336576 0.743578 H\n0.157520 0.836576 0.756422 H\n0.342480 0.663424 0.256422 H\n0.842480 0.163424 0.243578 H\n0.719209 0.423032 0.681377 H\n0.219209 0.923032 0.818623 H\n0.280791 0.576968 0.318623 H\n0.780791 0.076968 0.181377 H\n0.809154 0.330731 0.704118 H\n0.309154 0.830731 0.795882 H\n0.190846 0.669269 0.295882 H\n0.690846 0.169269 0.204118 H\n0.427775 0.190734 0.785814 H\n0.927775 0.690734 0.714186 H\n0.572225 0.809266 0.214186 H\n0.072225 0.309266 0.285814 H\n0.272274 0.102829 0.763098 H\n0.772274 0.602829 0.736902 H\n0.727726 0.897171 0.236902 H\n0.227726 0.397171 0.263098 H\n0.272222 0.195256 0.822143 H\n0.772222 0.695256 0.677857 H\n0.727778 0.804744 0.177857 H\n0.227778 0.304744 0.322143 H\n0.469713 0.430978 0.762131 H\n0.969713 0.930978 0.737869 H\n0.530287 0.569022 0.237869 H\n0.030287 0.069022 0.262131 H\n0.311274 0.413316 0.801634 H\n0.811274 0.913316 0.698366 H\n0.688726 0.586684 0.198366 H\n0.188726 0.086684 0.301634 H\n0.334373 0.473515 0.727494 H\n0.834373 0.973515 0.772506 H\n0.665627 0.526485 0.272506 H\n0.165627 0.026485 0.227494 H\n0.043995 0.184652 0.698694 H\n0.543995 0.684652 0.801306 H\n0.956005 0.815348 0.301306 H\n0.456005 0.315348 0.198694 H\n0.068591 0.320438 0.688354 H\n0.568591 0.820438 0.811646 H\n0.931409 0.679562 0.311646 H\n0.431409 0.179562 0.188354 H\n0.061650 0.267576 0.764171 H\n0.561650 0.767576 0.735829 H\n0.938350 0.732424 0.235829 H\n0.438350 0.232424 0.264171 H\n0.026843 0.163802 0.581847 H\n0.526843 0.663802 0.918153 H\n0.973157 0.836198 0.418153 H\n0.473157 0.336198 0.081847 H\n0.031861 0.089386 0.514049 H\n0.531861 0.589386 0.985951 H\n0.968139 0.910614 0.485951 H\n0.468139 0.410614 0.014049 H\n0.105487 0.225140 0.513099 H\n0.605487 0.725140 0.986901 H\n0.894513 0.774860 0.486901 H\n0.394513 0.274860 0.013099 H\n0.161503 0.000914 0.649536 H\n0.661503 0.500914 0.850464 H\n0.838497 0.999086 0.350464 H\n0.338497 0.499086 0.149536 H\n0.310963 0.976622 0.616575 H\n0.810963 0.476622 0.883425 H\n0.689037 0.023378 0.383425 H\n0.189037 0.523378 0.116575 H\n0.153898 0.941701 0.575510 H\n0.653898 0.441701 0.924490 H\n0.846102 0.058299 0.424490 H\n0.346102 0.558299 0.075510 H\n0.366430 0.178845 0.460971 H\n0.866430 0.678845 0.039029 H\n0.633570 0.821155 0.539029 H\n0.133570 0.321155 0.960971 H\n0.274250 0.046269 0.464570 H\n0.774250 0.546269 0.035430 H\n0.725750 0.953731 0.535430 H\n0.225750 0.453731 0.964570 H\n0.439319 0.086682 0.498433 H\n0.939319 0.586682 0.001567 H\n0.560681 0.913318 0.501567 H\n0.060681 0.413318 0.998433 H\n0.097425 0.419629 0.591716 H\n0.597425 0.919629 0.908284 H\n0.902575 0.580371 0.408284 H\n0.402575 0.080371 0.091716 H\n0.128941 0.497910 0.524013 H\n0.628941 0.997910 0.975987 H\n0.871059 0.502090 0.475987 H\n0.371059 0.002090 0.024013 H\n0.010772 0.543124 0.645748 H\n0.510772 0.043124 0.854252 H\n0.989228 0.456876 0.354252 H\n0.489228 0.956876 0.145748 H\n0.002712 0.601770 0.573379 H\n0.502712 0.101770 0.926621 H\n0.997288 0.398230 0.426621 H\n0.497288 0.898230 0.073379 H\n0.182347 0.689112 0.674048 H\n0.682347 0.189112 0.825952 H\n0.817653 0.310888 0.325952 H\n0.317653 0.810888 0.174048 H\n0.192640 0.738996 0.598187 H\n0.692640 0.238996 0.901813 H\n0.807360 0.261004 0.401813 H\n0.307360 0.761004 0.098187 H\n0.390744 0.682939 0.580240 H\n0.890744 0.182939 0.919760 H\n0.609256 0.317061 0.419760 H\n0.109256 0.817061 0.080240 H\n0.381457 0.632955 0.656818 H\n0.881457 0.132955 0.843182 H\n0.618543 0.367045 0.343182 H\n0.118543 0.867045 0.156818 H\n0.611448 0.113405 0.670787 C\n0.111448 0.613405 0.829213 C\n0.388552 0.886595 0.329213 C\n0.888552 0.386595 0.170787 C\n0.714989 0.265157 0.567429 C\n0.214989 0.765157 0.932571 C\n0.285011 0.734843 0.432571 C\n0.785011 0.234843 0.067429 C\n0.706943 0.343523 0.698045 C\n0.206943 0.843523 0.801955 C\n0.293057 0.656477 0.301955 C\n0.793057 0.156477 0.198045 C\n0.318826 0.182717 0.777703 C\n0.818826 0.682717 0.722297 C\n0.681174 0.817283 0.222297 C\n0.181174 0.317283 0.277703 C\n0.358762 0.412590 0.755864 C\n0.858762 0.912590 0.744136 C\n0.641238 0.587410 0.244136 C\n0.141237 0.087410 0.255864 C\n0.097387 0.261064 0.716479 C\n0.597387 0.761064 0.783521 C\n0.902613 0.738936 0.283521 C\n0.402613 0.238936 0.216479 C\n0.089404 0.155222 0.541777 C\n0.589404 0.655222 0.958223 C\n0.910596 0.844778 0.458223 C\n0.410596 0.344778 0.041777 C\n0.217602 0.000559 0.606195 C\n0.717602 0.500559 0.893805 C\n0.782398 0.999441 0.393805 C\n0.282398 0.499441 0.106195 C\n0.344246 0.109404 0.490195 C\n0.844246 0.609403 0.009805 C\n0.655754 0.890597 0.509805 C\n0.155754 0.390597 0.990195 C\n0.138698 0.499123 0.574848 C\n0.638698 0.999123 0.925152 C\n0.861302 0.500877 0.425152 C\n0.361302 0.000877 0.074848 C\n0.072325 0.577375 0.605473 C\n0.572325 0.077375 0.894527 C\n0.927675 0.422625 0.394527 C\n0.427675 0.922625 0.105473 C\n0.191521 0.669228 0.625151 C\n0.691521 0.169228 0.874849 C\n0.808479 0.330772 0.374849 C\n0.308479 0.830772 0.125151 C\n0.322591 0.634176 0.614323 C\n0.822591 0.134176 0.885677 C\n0.677409 0.365824 0.385677 C\n0.177409 0.865824 0.114323 C\n0.622206 0.564389 0.547618 Cl\n0.122206 0.064389 0.952382 Cl\n0.377794 0.435611 0.452382 Cl\n0.877794 0.935611 0.047618 Cl\n0.281948 0.528149 0.591588 O\n0.781948 0.028149 0.908412 O\n0.718052 0.471851 0.408412 O\n0.218052 0.971851 0.091588 O\n","nsites":220,"nelements":6,"elements":["Zn","Si","H","C","Cl","O"],"chemical_system":"C-Cl-H-O-Si-Zn","density":0.9846143639488173,"density_atomic":0.07753350676374027,"volume":2837.482904912104,"volume_molar":7.767146117033813,"formula_full":"Zn4 Si16 H140 C52 Cl4 O4","formula_reduced":"ZnSi4H35C13ClO","formula_anonymous":"ABCD4E13F35","energy":-1126.99329558,"energy_per_atom":-5.122696798090909,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1124.24529558,"band_gap":3.7664,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0076411,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.344000Z","spacegroup":14},{"id":"mp-849539","created_at":"2022-09-04T14:41:22.257653Z","structure_string":"Li4 Mn2 V2 P4 H4 O20\n1.0\n5.211291 0.000000 0.000000\n-2.287289 7.044003 0.000000\n-1.287847 -3.329343 10.094963\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.541671 0.619910 0.802732 Li\n0.943573 0.862701 0.699072 Li\n0.056427 0.137299 0.300928 Li\n0.458329 0.380090 0.197268 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.488299 0.048282 0.818176 P\n0.995970 0.450819 0.685261 P\n0.004030 0.549181 0.314739 P\n0.511701 0.951718 0.181824 P\n0.321833 0.304214 0.966395 H\n0.174202 0.184147 0.532388 H\n0.825798 0.815853 0.467612 H\n0.678167 0.695786 0.033605 H\n0.819780 0.701755 0.978101 O\n0.599223 0.272824 0.892503 O\n0.126025 0.476203 0.830777 O\n0.236305 0.939905 0.868834 O\n0.712299 0.950150 0.832067 O\n0.788298 0.559904 0.680961 O\n0.245894 0.545362 0.631614 O\n0.367976 0.004798 0.667398 O\n0.851031 0.223293 0.601464 O\n0.307892 0.183026 0.474924 O\n0.692108 0.816974 0.525076 O\n0.148969 0.776707 0.398536 O\n0.632024 0.995202 0.332602 O\n0.754106 0.454638 0.368386 O\n0.211702 0.440096 0.319039 O\n0.287701 0.049850 0.167933 O\n0.763695 0.060095 0.131166 O\n0.873975 0.523797 0.169223 O\n0.400777 0.727176 0.107497 O\n0.180220 0.298245 0.021899 O\n","nsites":36,"nelements":6,"elements":["Li","Mn","V","P","H","O"],"chemical_system":"H-Li-Mn-O-P-V","density":3.0804415988716545,"density_atomic":0.09714778701943373,"volume":370.56942936639877,"volume_molar":6.1989479583259195,"formula_full":"Li4 Mn2 V2 P4 H4 O20","formula_reduced":"Li2MnVP2(HO5)2","formula_anonymous":"ABC2D2E2F10","energy":-264.74054496,"energy_per_atom":-7.353904026666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-244.26454496,"band_gap":0.2428999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9997885,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.247000Z","spacegroup":2}]}