{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=82","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=80","results":[{"id":"mp-540575","created_at":"2022-09-04T14:39:58.974030Z","structure_string":"Zn2 Hg4 H28 C8 N12 O26\n1.0\n3.309833 8.991152 0.000000\n-3.309833 8.991152 0.000000\n0.000000 1.451201 16.441166\nZn Hg H C N O\n2 4 28 8 12 26\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.792704 0.521486 0.085867 Hg\n0.478514 0.207296 0.414133 Hg\n0.207296 0.478514 0.914133 Hg\n0.521486 0.792704 0.585867 Hg\n0.199668 0.888256 0.252101 H\n0.111744 0.800332 0.247899 H\n0.800332 0.111744 0.747899 H\n0.888256 0.199668 0.752101 H\n0.183799 0.648540 0.092607 H\n0.351460 0.816201 0.407393 H\n0.816201 0.351460 0.907393 H\n0.648540 0.183799 0.592607 H\n0.934873 0.795908 0.086826 H\n0.204092 0.065127 0.413174 H\n0.065127 0.204092 0.913174 H\n0.795908 0.934873 0.586826 H\n0.933633 0.086885 0.161921 H\n0.913115 0.066367 0.338079 H\n0.066367 0.913115 0.838079 H\n0.086885 0.933633 0.661921 H\n0.702488 0.258965 0.123166 H\n0.741035 0.297512 0.376834 H\n0.297512 0.741035 0.876834 H\n0.258965 0.702488 0.623166 H\n0.579280 0.985957 0.129206 H\n0.014043 0.420720 0.370794 H\n0.420720 0.014043 0.870794 H\n0.985957 0.579280 0.629206 H\n0.751060 0.832801 0.196105 H\n0.167199 0.248940 0.303895 H\n0.248940 0.167199 0.803895 H\n0.832801 0.751060 0.696105 H\n0.480467 0.724844 0.054640 C\n0.275156 0.519533 0.445360 C\n0.519533 0.275156 0.945360 C\n0.724844 0.480467 0.554640 C\n0.110442 0.324282 0.103787 C\n0.675718 0.889558 0.396213 C\n0.889558 0.675718 0.896213 C\n0.324282 0.110442 0.603787 C\n0.306197 0.833394 0.035896 N\n0.166606 0.693803 0.464104 N\n0.693803 0.166606 0.964104 N\n0.833394 0.306197 0.535896 N\n0.290549 0.212626 0.114285 N\n0.787374 0.709451 0.385715 N\n0.709451 0.787374 0.885715 N\n0.212626 0.290549 0.614285 N\n0.593111 0.609020 0.282860 N\n0.390980 0.406889 0.217140 N\n0.406889 0.390980 0.717140 N\n0.609020 0.593111 0.782860 N\n0.065403 0.934597 0.250000 O\n0.934597 0.065403 0.750000 O\n0.940979 0.250310 0.943913 O\n0.749690 0.059021 0.556087 O\n0.059021 0.749690 0.056087 O\n0.250310 0.940979 0.443913 O\n0.853628 0.175947 0.111300 O\n0.824053 0.146372 0.388700 O\n0.146372 0.824053 0.888700 O\n0.175947 0.853628 0.611300 O\n0.734842 0.847619 0.137451 O\n0.152381 0.265158 0.362549 O\n0.265158 0.152381 0.862549 O\n0.847619 0.734842 0.637451 O\n0.553234 0.575269 0.353136 O\n0.424731 0.446766 0.146864 O\n0.446766 0.424731 0.646864 O\n0.575269 0.553234 0.853136 O\n0.447546 0.793862 0.248688 O\n0.206138 0.552454 0.251312 O\n0.552454 0.206138 0.751312 O\n0.793862 0.447546 0.748688 O\n0.775590 0.457389 0.249091 O\n0.542611 0.224410 0.250909 O\n0.224410 0.542611 0.750909 O\n0.457389 0.775590 0.749091 O\n","nsites":80,"nelements":6,"elements":["Zn","Hg","H","C","N","O"],"chemical_system":"C-H-Hg-N-O-Zn","density":2.7856039659261604,"density_atomic":0.08175342490894837,"volume":978.5522758110596,"volume_molar":7.36622443244068,"formula_full":"Zn2 Hg4 H28 C8 N12 O26","formula_reduced":"ZnHg2H14C4N6O13","formula_anonymous":"AB2C4D6E13F14","energy":-466.61533805,"energy_per_atom":-5.832691725625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-444.42133805,"band_gap":3.1841,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006257,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.436000Z","spacegroup":15},{"id":"mp-1233091","created_at":"2022-09-04T14:45:29.544033Z","structure_string":"Ba1 Mg1 Al3 P2 H2 O14\n1.0\n4.913292 3.475630 -3.330120\n-4.913329 3.475666 3.330118\n0.922597 -0.000008 8.075305\nBa Mg Al P H O\n1 1 3 2 2 14\ndirect\n0.028828 0.971167 0.085798 Ba\n0.771920 0.228079 0.321944 Mg\n0.022950 0.977048 0.595482 Al\n0.514198 0.941641 0.593727 Al\n0.058357 0.485796 0.593729 Al\n0.294160 0.705845 0.916649 P\n0.663545 0.336456 0.987036 P\n0.392429 0.607576 0.489554 H\n0.653298 0.346699 0.614575 H\n0.357562 0.642450 0.122478 O\n0.598730 0.401271 0.779516 O\n0.142511 0.857490 0.830530 O\n0.812954 0.187047 0.093722 O\n0.146460 0.488717 0.830368 O\n0.511288 0.853545 0.830368 O\n0.465651 0.193731 0.092689 O\n0.806273 0.534347 0.092691 O\n0.314343 0.685652 0.500919 O\n0.712909 0.287091 0.557896 O\n0.724800 0.928826 0.528012 O\n0.071174 0.275195 0.528016 O\n0.000783 0.774536 0.476258 O\n0.225458 0.999211 0.476257 O\n","nsites":23,"nelements":6,"elements":["Ba","Mg","Al","P","H","O"],"chemical_system":"Al-Ba-H-Mg-O-P","density":2.9646284208165947,"density_atomic":0.0773994248025304,"volume":297.1598310798825,"volume_molar":7.780601439047285,"formula_full":"Ba1 Mg1 Al3 P2 H2 O14","formula_reduced":"BaMgAl3P2(HO7)2","formula_anonymous":"ABC2D2E3F14","energy":-160.45738742,"energy_per_atom":-6.976408148695652,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-150.83938742,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.6414992,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.675000Z","spacegroup":8},{"id":"mp-693358","created_at":"2022-09-04T14:39:45.433611Z","structure_string":"Ca12 Ti10 Al2 Si12 O58 F2\n1.0\n5.477366 0.000000 0.000000\n-1.503076 5.267592 0.000000\n-1.385092 -1.849379 39.100357\nCa Ti Al Si O F\n12 10 2 12 58 2\ndirect\n0.960294 0.290776 0.045761 Ca\n0.464080 0.798962 0.207555 Ca\n0.954268 0.291723 0.374101 Ca\n0.455094 0.791899 0.540880 Ca\n0.545343 0.219243 0.127858 Ca\n0.955343 0.291840 0.707581 Ca\n0.041042 0.704228 0.290176 Ca\n0.456380 0.791178 0.874744 Ca\n0.541821 0.204919 0.457518 Ca\n0.041917 0.705288 0.624229 Ca\n0.541685 0.205539 0.791000 Ca\n0.037667 0.706307 0.958945 Ca\n0.479143 0.493697 0.997983 Ti\n0.250857 0.244209 0.246657 Ti\n0.490353 0.498579 0.330959 Ti\n0.748487 0.740818 0.414615 Ti\n0.991225 0.998855 0.498110 Ti\n0.249038 0.241560 0.581507 Ti\n0.491661 0.499062 0.664849 Ti\n0.748797 0.741315 0.748133 Ti\n0.990451 0.998061 0.831394 Ti\n0.246588 0.238111 0.914800 Ti\n0.749415 0.748047 0.084482 Al\n0.009195 0.001719 0.167002 Al\n0.191358 0.562236 0.124750 Si\n0.692175 0.058526 0.291125 Si\n0.191864 0.558714 0.458459 Si\n0.310194 0.938961 0.044646 Si\n0.691947 0.058848 0.625203 Si\n0.813300 0.444279 0.205796 Si\n0.191801 0.558706 0.791871 Si\n0.308237 0.941707 0.374905 Si\n0.691518 0.059922 0.959794 Si\n0.808716 0.441858 0.541826 Si\n0.308780 0.941841 0.708519 Si\n0.808814 0.441658 0.875321 Si\n0.308428 0.169430 0.017884 O\n0.914909 0.504425 0.101929 O\n0.798923 0.672757 0.180151 O\n0.425980 0.555399 0.098983 O\n0.245920 0.837090 0.146549 O\n0.416744 0.994776 0.269432 O\n0.295550 0.163767 0.348250 O\n0.194846 0.056587 0.207493 O\n0.248142 0.666922 0.021088 O\n0.073689 0.945700 0.068855 O\n0.914232 0.045433 0.264580 O\n0.754084 0.334341 0.313166 O\n0.916183 0.494723 0.436915 O\n0.587607 0.993350 0.065559 O\n0.796118 0.663559 0.515166 O\n0.697383 0.555976 0.375292 O\n0.753901 0.166335 0.184251 O\n0.590856 0.450731 0.233515 O\n0.413626 0.545954 0.431774 O\n0.254890 0.834687 0.480278 O\n0.307350 0.448304 0.291331 O\n0.189800 0.325070 0.149621 O\n0.416145 0.994816 0.603705 O\n0.086223 0.504084 0.228800 O\n0.296156 0.163591 0.681839 O\n0.197976 0.055497 0.542250 O\n0.244269 0.666023 0.353368 O\n0.088811 0.956642 0.402233 O\n0.913638 0.046108 0.598496 O\n0.754999 0.334823 0.646973 O\n0.805595 0.947871 0.458854 O\n0.705565 0.838887 0.318603 O\n0.916104 0.494812 0.770386 O\n0.584271 0.004655 0.396804 O\n0.796123 0.663186 0.848606 O\n0.697973 0.555158 0.708911 O\n0.744788 0.166271 0.520367 O\n0.589084 0.456969 0.569076 O\n0.413482 0.546090 0.765188 O\n0.254609 0.834785 0.813637 O\n0.305324 0.448004 0.625598 O\n0.206776 0.339093 0.485695 O\n0.416005 0.997253 0.937794 O\n0.084865 0.505008 0.563647 O\n0.196873 0.052413 0.875685 O\n0.244835 0.666226 0.687052 O\n0.088955 0.956829 0.735733 O\n0.913813 0.049754 0.932741 O\n0.752570 0.335510 0.981592 O\n0.804561 0.947726 0.792225 O\n0.706878 0.839166 0.652404 O\n0.584904 0.004890 0.730310 O\n0.744935 0.166059 0.853807 O\n0.587558 0.455880 0.902435 O\n0.300728 0.447347 0.959219 O\n0.206429 0.338339 0.819042 O\n0.085181 0.504108 0.897023 O\n0.704363 0.833870 0.986009 O\n0.703717 0.560199 0.043658 F\n0.806910 0.943552 0.125119 F\n","nsites":96,"nelements":6,"elements":["Ca","Ti","Al","Si","O","F"],"chemical_system":"Al-Ca-F-O-Si-Ti","density":3.409788879826975,"density_atomic":0.08509550487109387,"volume":1128.1441968694435,"volume_molar":7.076919949088479,"formula_full":"Ca12 Ti10 Al2 Si12 O58 F2","formula_reduced":"Ca6Ti5AlSi6O29F","formula_anonymous":"ABC5D6E6F29","energy":-801.04487551,"energy_per_atom":-8.344217453229167,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-760.27487551,"band_gap":2.4854000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001589,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.627000Z","spacegroup":1},{"id":"mp-723036","created_at":"2022-09-04T14:45:33.793688Z","structure_string":"Fe4 H64 C16 S16 N32 Cl8\n1.0\n13.784539 0.000000 0.000000\n0.000000 13.784539 0.000000\n0.000000 0.000000 9.175493\nFe H C S N Cl\n4 64 16 16 32 8\ndirect\n0.250000 0.250000 0.750000 Fe\n0.750000 0.750000 0.750000 Fe\n0.250000 0.750000 0.250000 Fe\n0.750000 0.250000 0.250000 Fe\n0.918784 0.056742 0.737824 H\n0.081216 0.943258 0.737824 H\n0.443258 0.418784 0.237824 H\n0.556742 0.581216 0.237824 H\n0.581216 0.443258 0.762176 H\n0.418784 0.556742 0.762176 H\n0.056742 0.081216 0.262176 H\n0.943258 0.918784 0.262176 H\n0.857793 0.137300 0.620029 H\n0.142207 0.862700 0.620029 H\n0.362700 0.357793 0.120029 H\n0.637300 0.642207 0.120029 H\n0.642207 0.362700 0.879971 H\n0.357793 0.637300 0.879971 H\n0.137300 0.142207 0.379971 H\n0.862700 0.857793 0.379971 H\n0.943351 0.251240 0.489108 H\n0.056649 0.748760 0.489108 H\n0.248760 0.443351 0.989108 H\n0.751240 0.556649 0.989108 H\n0.556649 0.248760 0.010892 H\n0.443351 0.751240 0.010892 H\n0.251240 0.056649 0.510892 H\n0.748760 0.943351 0.510892 H\n0.065808 0.271216 0.532465 H\n0.934192 0.728784 0.532465 H\n0.228784 0.565808 0.032465 H\n0.771216 0.434192 0.032465 H\n0.434192 0.228784 0.967535 H\n0.565808 0.771216 0.967535 H\n0.271216 0.934192 0.467535 H\n0.728784 0.065808 0.467535 H\n0.328928 0.857972 0.824564 H\n0.671072 0.142028 0.824564 H\n0.642028 0.828928 0.324564 H\n0.357972 0.171072 0.324564 H\n0.171072 0.642028 0.675436 H\n0.828928 0.357972 0.675436 H\n0.857972 0.671072 0.175436 H\n0.142028 0.328928 0.175436 H\n0.405690 0.915130 0.698094 H\n0.594310 0.084870 0.698094 H\n0.584870 0.905690 0.198094 H\n0.415130 0.094310 0.198094 H\n0.094310 0.584870 0.801906 H\n0.905690 0.415130 0.801906 H\n0.915130 0.594310 0.301906 H\n0.084870 0.405690 0.301906 H\n0.247777 0.079661 0.974239 H\n0.752223 0.920339 0.974239 H\n0.420339 0.747777 0.474239 H\n0.579661 0.252223 0.474239 H\n0.252223 0.420339 0.525761 H\n0.747777 0.579661 0.525761 H\n0.079661 0.752223 0.025761 H\n0.920339 0.247777 0.025761 H\n0.244557 0.952302 0.993993 H\n0.755443 0.047698 0.993993 H\n0.547698 0.744557 0.493993 H\n0.452302 0.255443 0.493993 H\n0.255443 0.547698 0.506007 H\n0.744557 0.452302 0.506007 H\n0.952302 0.755443 0.006007 H\n0.047698 0.244557 0.006007 H\n0.002432 0.164544 0.651178 C\n0.997568 0.835456 0.651178 C\n0.335456 0.502432 0.151178 C\n0.664544 0.497568 0.151178 C\n0.497568 0.335456 0.848822 C\n0.502432 0.664544 0.848822 C\n0.164544 0.997568 0.348822 C\n0.835456 0.002432 0.348822 C\n0.325475 0.007229 0.822232 C\n0.674525 0.992771 0.822232 C\n0.492771 0.825475 0.322232 C\n0.507229 0.174525 0.322232 C\n0.174525 0.492771 0.677768 C\n0.825475 0.507229 0.677768 C\n0.007229 0.674525 0.177768 C\n0.992771 0.325475 0.177768 C\n0.104484 0.132633 0.748300 S\n0.895516 0.867367 0.748300 S\n0.367367 0.604484 0.248300 S\n0.632633 0.395516 0.248300 S\n0.395516 0.367367 0.751700 S\n0.604484 0.632633 0.751700 S\n0.132633 0.895516 0.251700 S\n0.867367 0.104484 0.251700 S\n0.365252 0.110074 0.733477 S\n0.634748 0.889926 0.733477 S\n0.389926 0.865252 0.233477 S\n0.610074 0.134748 0.233477 S\n0.134748 0.389926 0.766523 S\n0.865252 0.610074 0.766523 S\n0.110074 0.634748 0.266523 S\n0.889926 0.365252 0.266523 S\n0.918872 0.118359 0.676794 N\n0.081128 0.881641 0.676794 N\n0.381641 0.418872 0.176794 N\n0.618359 0.581128 0.176794 N\n0.581128 0.381641 0.823206 N\n0.418872 0.618359 0.823206 N\n0.118359 0.081128 0.323206 N\n0.881641 0.918872 0.323206 N\n0.003248 0.234125 0.549612 N\n0.996752 0.765875 0.549612 N\n0.265875 0.503248 0.049612 N\n0.734125 0.496752 0.049612 N\n0.496752 0.265875 0.950388 N\n0.503248 0.734125 0.950388 N\n0.234125 0.996752 0.450388 N\n0.765875 0.003248 0.450388 N\n0.352099 0.919607 0.773016 N\n0.647901 0.080393 0.773016 N\n0.580393 0.852099 0.273016 N\n0.419607 0.147901 0.273016 N\n0.147901 0.580393 0.726984 N\n0.852099 0.419607 0.726984 N\n0.919607 0.647901 0.226984 N\n0.080393 0.352099 0.226984 N\n0.267661 0.012369 0.938429 N\n0.732339 0.987631 0.938429 N\n0.487631 0.767661 0.438429 N\n0.512369 0.232339 0.438429 N\n0.232339 0.487631 0.561571 N\n0.767661 0.512369 0.561571 N\n0.012369 0.732339 0.061571 N\n0.987631 0.267661 0.061571 N\n0.249590 0.240679 0.027659 Cl\n0.750410 0.759321 0.027659 Cl\n0.259321 0.749590 0.527659 Cl\n0.740679 0.250410 0.527659 Cl\n0.250410 0.259321 0.472341 Cl\n0.749590 0.740679 0.472341 Cl\n0.240679 0.750410 0.972341 Cl\n0.759321 0.249590 0.972341 Cl\n","nsites":140,"nelements":6,"elements":["Fe","H","C","S","N","Cl"],"chemical_system":"C-Cl-Fe-H-N-S","density":1.6428905275375816,"density_atomic":0.08029973915655625,"volume":1743.4676808482434,"volume_molar":7.499576988984913,"formula_full":"Fe4 H64 C16 S16 N32 Cl8","formula_reduced":"FeH16C4S4(N4Cl)2","formula_anonymous":"AB2C4D4E8F16","energy":-806.5275948200001,"energy_per_atom":-5.76091139157143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-782.01559482,"band_gap":1.9677,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.54e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:11.856000Z","spacegroup":86},{"id":"mp-1197780","created_at":"2022-09-04T14:45:29.928374Z","structure_string":"K4 Mn4 B4 P8 H8 O36\n1.0\n-6.347778 0.000000 2.172460\n-0.064638 0.000000 -9.945463\n0.000000 -12.321368 0.000000\nK Mn B P H O\n4 4 4 8 8 36\ndirect\n0.350632 0.878627 0.829579 K\n0.649368 0.621373 0.329579 K\n0.649368 0.121373 0.170421 K\n0.350632 0.378627 0.670421 K\n0.103799 0.906782 0.585796 Mn\n0.896201 0.593218 0.085796 Mn\n0.896201 0.093218 0.414204 Mn\n0.103799 0.406782 0.914204 Mn\n0.227376 0.651842 0.468977 B\n0.772624 0.848158 0.968977 B\n0.772624 0.348158 0.531023 B\n0.227376 0.151842 0.031023 B\n0.999927 0.563131 0.663483 P\n0.000073 0.936869 0.163483 P\n0.000073 0.436869 0.336517 P\n0.999927 0.063131 0.836517 P\n0.565778 0.832716 0.570687 P\n0.434222 0.667284 0.070687 P\n0.434222 0.167284 0.429313 P\n0.565778 0.332716 0.929313 P\n0.132442 0.791508 0.380675 H\n0.867558 0.708492 0.880675 H\n0.867558 0.208492 0.619325 H\n0.132442 0.291508 0.119325 H\n0.727287 0.714065 0.671051 H\n0.272713 0.785935 0.171051 H\n0.272713 0.285935 0.328949 H\n0.727287 0.214065 0.828949 H\n0.956908 0.705109 0.678596 O\n0.043092 0.794891 0.178596 O\n0.043092 0.294891 0.321404 O\n0.956908 0.205109 0.821404 O\n0.427772 0.916378 0.612477 O\n0.572228 0.583622 0.112477 O\n0.572228 0.083622 0.387523 O\n0.427772 0.416378 0.887523 O\n0.096945 0.744563 0.450993 O\n0.903055 0.755437 0.950993 O\n0.903055 0.255437 0.549007 O\n0.096945 0.244563 0.049007 O\n0.080581 0.013744 0.734086 O\n0.919419 0.486256 0.234086 O\n0.919419 0.986256 0.265914 O\n0.080581 0.513744 0.765914 O\n0.788194 0.917588 0.531966 O\n0.211806 0.582412 0.031966 O\n0.211806 0.082412 0.468034 O\n0.788194 0.417588 0.968034 O\n0.170233 0.575326 0.572740 O\n0.829767 0.924674 0.072740 O\n0.829767 0.424674 0.427260 O\n0.170233 0.075326 0.927260 O\n0.210389 0.549770 0.378445 O\n0.789611 0.950230 0.878445 O\n0.789611 0.450230 0.621555 O\n0.210389 0.049770 0.121555 O\n0.455727 0.734447 0.472353 O\n0.544273 0.765553 0.972353 O\n0.544273 0.265553 0.527647 O\n0.455727 0.234447 0.027647 O\n0.585606 0.730974 0.666898 O\n0.414394 0.769026 0.166898 O\n0.414394 0.269026 0.333102 O\n0.585606 0.230974 0.833102 O\n","nsites":64,"nelements":6,"elements":["K","Mn","B","P","H","O"],"chemical_system":"B-H-K-Mn-O-P","density":2.665094834428172,"density_atomic":0.08209361528390867,"volume":779.5977772286607,"volume_molar":7.335699297897058,"formula_full":"K4 Mn4 B4 P8 H8 O36","formula_reduced":"KMnBP2H2O9","formula_anonymous":"ABCD2E2F9","energy":-472.31910816,"energy_per_atom":-7.379986065,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-440.91510816,"band_gap":4.6073,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.999972,"is_theoretical":false,"updated_at":"2021-11-28T01:37:05.241000Z","spacegroup":14},{"id":"mp-1177317","created_at":"2022-09-04T14:45:30.437130Z","structure_string":"Li4 Ti1 Fe3 Sn2 P6 O24\n1.0\n9.306202 0.309983 0.432211\n4.962100 7.848675 0.355573\n5.132473 2.859130 7.422403\nLi Ti Fe Sn P O\n4 1 3 2 6 24\ndirect\n0.796276 0.130470 0.401696 Li\n0.293273 0.914327 0.626915 Li\n0.644798 0.293846 0.897192 Li\n0.889829 0.642321 0.304206 Li\n0.850692 0.839225 0.856519 Ti\n0.169137 0.152481 0.154917 Fe\n0.331122 0.352061 0.313411 Fe\n0.645529 0.653813 0.662566 Fe\n0.041088 0.021323 0.013974 Sn\n0.455092 0.502260 0.469763 Sn\n0.035518 0.749284 0.455925 P\n0.462522 0.037345 0.752540 P\n0.231064 0.552759 0.953979 P\n0.546072 0.952228 0.237140 P\n0.949436 0.236424 0.543610 P\n0.749387 0.447497 0.042329 P\n0.154152 0.189106 0.512371 O\n0.167908 0.554921 0.147003 O\n0.096473 0.907950 0.263350 O\n0.537573 0.152944 0.171994 O\n0.985928 0.803333 0.610032 O\n0.200496 0.556120 0.460846 O\n0.266917 0.122441 0.890723 O\n0.513877 0.195819 0.554030 O\n0.202480 0.396865 0.972554 O\n0.548158 0.466495 0.207316 O\n0.108013 0.747576 0.847352 O\n0.387343 0.952050 0.229173 O\n0.616818 0.956615 0.822214 O\n0.885730 0.249884 0.123909 O\n0.439279 0.537864 0.830921 O\n0.814522 0.598745 0.989313 O\n0.546170 0.827723 0.434800 O\n0.742885 0.855393 0.099899 O\n0.820888 0.434860 0.543643 O\n0.950753 0.210489 0.395990 O\n0.444162 0.891755 0.739934 O\n0.860180 0.096165 0.743772 O\n0.749261 0.450238 0.880117 O\n0.869199 0.743984 0.465063 O\n","nsites":40,"nelements":6,"elements":["Li","Ti","Fe","Sn","P","O"],"chemical_system":"Fe-Li-O-P-Sn-Ti","density":3.4164121660602693,"density_atomic":0.07834667701075688,"volume":510.55132809918734,"volume_molar":7.686529907545624,"formula_full":"Li4 Ti1 Fe3 Sn2 P6 O24","formula_reduced":"Li4TiFe3Sn2(PO4)6","formula_anonymous":"AB2C3D4E6F24","energy":-301.42521808000004,"energy_per_atom":-7.535630452000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-278.16921808,"band_gap":1.5116999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.00005,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.293000Z","spacegroup":1},{"id":"mp-1201642","created_at":"2022-09-04T14:45:36.783787Z","structure_string":"Be12 As12 H36 C20 N4 O52\n1.0\n0.000000 -5.058756 0.000000\n-13.259669 -2.529378 0.000000\n-1.110369 -2.529378 -22.236956\nBe As H C N O\n12 12 36 20 4 52\ndirect\n0.063219 0.101428 0.761574 Be\n0.926220 0.398572 0.738426 Be\n0.936781 0.898572 0.238426 Be\n0.073780 0.601428 0.261574 Be\n0.177839 0.083006 0.564744 Be\n0.825590 0.416994 0.935256 Be\n0.822161 0.916994 0.435256 Be\n0.174411 0.583006 0.064744 Be\n0.441224 0.167544 0.314721 Be\n0.923488 0.332456 0.185279 Be\n0.558776 0.832456 0.685279 Be\n0.076512 0.667544 0.814721 Be\n0.991618 0.886500 0.753659 As\n0.631776 0.613500 0.746341 As\n0.008382 0.113500 0.246341 As\n0.368224 0.386500 0.253659 As\n0.910599 0.238163 0.658511 As\n0.807272 0.261837 0.841489 As\n0.089401 0.761837 0.341489 As\n0.192728 0.738163 0.158511 As\n0.243227 0.047499 0.428729 As\n0.719455 0.452501 0.071271 As\n0.756773 0.952501 0.571271 As\n0.280545 0.547499 0.928729 As\n0.441487 0.306136 0.659907 H\n0.407530 0.193864 0.840093 H\n0.558513 0.693864 0.340093 H\n0.592470 0.806136 0.159907 H\n0.130334 0.793060 0.523289 H\n0.446682 0.706940 0.976711 H\n0.869666 0.206940 0.476711 H\n0.553318 0.293060 0.023289 H\n0.471197 0.008456 0.727777 H\n0.207429 0.491544 0.772223 H\n0.528803 0.991544 0.272223 H\n0.792571 0.508456 0.227777 H\n0.514119 0.121127 0.721998 H\n0.357244 0.378873 0.778002 H\n0.485881 0.878873 0.278002 H\n0.642756 0.621127 0.221998 H\n0.983631 0.702938 0.609371 H\n0.295940 0.797062 0.890629 H\n0.016369 0.297062 0.390629 H\n0.704060 0.202938 0.109371 H\n0.269699 0.538071 0.642237 H\n0.450008 0.961929 0.857763 H\n0.730301 0.461929 0.357763 H\n0.549992 0.038071 0.142237 H\n0.715937 0.480693 0.584444 H\n0.781074 0.019307 0.915556 H\n0.284063 0.519307 0.415556 H\n0.218926 0.980693 0.084444 H\n0.861157 0.588034 0.493051 H\n0.942242 0.911966 0.006949 H\n0.138843 0.411966 0.506949 H\n0.057758 0.088034 0.993051 H\n0.548437 0.747601 0.464916 H\n0.760954 0.752399 0.035084 H\n0.451563 0.252399 0.535084 H\n0.239046 0.247601 0.964916 H\n0.178482 0.671838 0.585539 C\n0.435860 0.828162 0.914461 C\n0.821518 0.328162 0.414461 C\n0.564140 0.171838 0.085539 C\n0.338923 0.582233 0.603031 C\n0.524187 0.917767 0.896969 C\n0.661077 0.417767 0.396969 C\n0.475813 0.082233 0.103031 C\n0.588402 0.550625 0.570014 C\n0.709041 0.949375 0.929986 C\n0.411598 0.449375 0.429986 C\n0.290959 0.050625 0.070014 C\n0.668290 0.609612 0.519962 C\n0.797864 0.890388 0.980038 C\n0.331710 0.390388 0.480038 C\n0.202136 0.109612 0.019962 C\n0.500173 0.698309 0.503587 C\n0.702068 0.801691 0.996413 C\n0.499827 0.301691 0.496413 C\n0.297932 0.198309 0.003587 C\n0.261281 0.726460 0.536600 N\n0.524341 0.773540 0.963400 N\n0.738719 0.273540 0.463400 N\n0.475659 0.226460 0.036600 N\n0.669953 0.896522 0.732821 O\n0.299297 0.603478 0.767179 O\n0.330047 0.103478 0.267179 O\n0.700703 0.396522 0.232821 O\n0.053716 0.789667 0.806710 O\n0.650094 0.710333 0.693290 O\n0.946284 0.210333 0.193290 O\n0.349906 0.289667 0.306710 O\n0.226968 0.859349 0.692435 O\n0.778751 0.640651 0.807565 O\n0.773032 0.140651 0.307565 O\n0.221249 0.359349 0.192435 O\n0.998970 0.993704 0.788768 O\n0.781442 0.506296 0.711232 O\n0.001030 0.006296 0.211232 O\n0.218558 0.493704 0.288768 O\n0.831078 0.152721 0.715409 O\n0.699207 0.347279 0.784591 O\n0.168922 0.847279 0.284591 O\n0.300793 0.652721 0.215409 O\n0.610136 0.306279 0.632192 O\n0.548607 0.193721 0.867808 O\n0.389864 0.693721 0.367808 O\n0.451393 0.806279 0.132192 O\n0.076931 0.323693 0.684899 O\n0.085523 0.176307 0.815101 O\n0.923069 0.676307 0.315101 O\n0.914477 0.823693 0.184899 O\n0.093438 0.191839 0.595575 O\n0.880853 0.308161 0.904425 O\n0.906562 0.808161 0.404425 O\n0.119147 0.691839 0.095575 O\n0.018396 0.996973 0.597233 O\n0.612603 0.503027 0.902767 O\n0.981604 0.003027 0.402767 O\n0.387397 0.496973 0.097233 O\n0.507283 0.054277 0.562587 O\n0.124148 0.445723 0.937413 O\n0.492717 0.945723 0.437413 O\n0.875852 0.554277 0.062587 O\n0.108637 0.107708 0.494165 O\n0.710510 0.392292 0.005835 O\n0.891363 0.892292 0.505835 O\n0.289490 0.607708 0.994165 O\n0.332678 0.144217 0.383367 O\n0.860262 0.355783 0.116633 O\n0.667322 0.855783 0.616633 O\n0.139738 0.644217 0.883367 O\n0.369263 0.079669 0.724280 O\n0.173212 0.420331 0.775720 O\n0.630737 0.920331 0.275720 O\n0.826788 0.579669 0.224280 O\n","nsites":136,"nelements":6,"elements":["Be","As","H","C","N","O"],"chemical_system":"As-Be-C-H-N-O","density":2.4176717807922987,"density_atomic":0.09117739000960053,"volume":1491.597861988371,"volume_molar":6.604861972212517,"formula_full":"Be12 As12 H36 C20 N4 O52","formula_reduced":"Be3As3H9C5NO13","formula_anonymous":"AB3C3D5E9F13","energy":-873.3861450900001,"energy_per_atom":-6.421956949191177,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-836.21814509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.3202256,"is_theoretical":false,"updated_at":"2021-11-28T01:37:03.083000Z","spacegroup":15},{"id":"mp-1370243","created_at":"2022-09-04T14:45:36.834744Z","structure_string":"Mg1 Ti4 Mn1 Zn1 Ni1 O12\n1.0\n5.121593 0.000000 0.000000\n-2.556574 4.928930 0.000000\n-0.001429 -2.655998 8.473112\nMg Ti Mn Zn Ni O\n1 4 1 1 1 12\ndirect\n0.532463 0.884519 0.179989 Mg\n0.714723 0.864263 0.570720 Ti\n0.219680 0.360066 0.073967 Ti\n0.783426 0.635616 0.931299 Ti\n0.282503 0.140793 0.424074 Ti\n0.462453 0.106045 0.819574 Mn\n0.039867 0.401682 0.677665 Zn\n0.972837 0.619889 0.324670 Ni\n0.508801 0.457549 0.281365 O\n0.994226 0.952191 0.780868 O\n0.036536 0.262132 0.472236 O\n0.540528 0.756946 0.981301 O\n0.064687 0.625702 0.114116 O\n0.562414 0.125650 0.606331 O\n0.993090 0.040477 0.218403 O\n0.492536 0.546549 0.717771 O\n0.463811 0.236134 0.027586 O\n0.959101 0.735582 0.523016 O\n0.433688 0.870013 0.386632 O\n0.942630 0.378200 0.888420 O\n","nsites":20,"nelements":6,"elements":["Mg","Ti","Mn","Zn","Ni","O"],"chemical_system":"Mg-Mn-Ni-O-Ti-Zn","density":4.555574610851363,"density_atomic":0.0935038159272141,"volume":213.89501382027598,"volume_molar":6.440529405439236,"formula_full":"Mg1 Ti4 Mn1 Zn1 Ni1 O12","formula_reduced":"MgTi4MnZnNiO12","formula_anonymous":"ABCDE4F12","energy":-143.68322798,"energy_per_atom":-7.184161399,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.23022798,"band_gap":0.0567000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9956249,"is_theoretical":true,"updated_at":"2021-11-28T01:37:03.703000Z","spacegroup":1},{"id":"mp-683831","created_at":"2022-09-04T14:45:36.997470Z","structure_string":"Fe12 Mo4 C44 Se4 S12 O44\n1.0\n17.596200 0.000000 0.000000\n0.000000 10.969322 0.000000\n0.000000 7.164543 11.141520\nFe Mo C Se S O\n12 4 44 4 12 44\ndirect\n0.928169 0.362283 0.833091 Fe\n0.428169 0.637717 0.666909 Fe\n0.770818 0.489356 0.901452 Fe\n0.229182 0.510644 0.098548 Fe\n0.865467 0.027608 0.307632 Fe\n0.634533 0.027608 0.807632 Fe\n0.071831 0.637717 0.166909 Fe\n0.365467 0.972392 0.192368 Fe\n0.729182 0.489356 0.401452 Fe\n0.571831 0.362283 0.333091 Fe\n0.270818 0.510644 0.598548 Fe\n0.134533 0.972392 0.692368 Fe\n0.645762 0.237651 0.554557 Mo\n0.354238 0.762349 0.445443 Mo\n0.854238 0.237651 0.054557 Mo\n0.145762 0.762349 0.945443 Mo\n0.256260 0.444233 0.502223 C\n0.526578 0.651106 0.623344 C\n0.888297 0.066708 0.046501 C\n0.599652 0.966783 0.954883 C\n0.768664 0.979264 0.352480 C\n0.066762 0.482433 0.315070 C\n0.026578 0.348894 0.876656 C\n0.614835 0.865721 0.811265 C\n0.611703 0.066708 0.546501 C\n0.247812 0.844271 0.402668 C\n0.243740 0.444233 0.002223 C\n0.473422 0.348894 0.376656 C\n0.561299 0.230714 0.292175 C\n0.747812 0.155729 0.097332 C\n0.328491 0.554887 0.088391 C\n0.743740 0.555767 0.497777 C\n0.061299 0.769286 0.207825 C\n0.231336 0.020736 0.647520 C\n0.756260 0.555767 0.997777 C\n0.731336 0.979264 0.852480 C\n0.388297 0.933292 0.453499 C\n0.400348 0.033217 0.045117 C\n0.828491 0.445113 0.411609 C\n0.114835 0.134279 0.688735 C\n0.111703 0.933292 0.953499 C\n0.900348 0.966783 0.454883 C\n0.252188 0.844271 0.902668 C\n0.232397 0.340046 0.237894 C\n0.438701 0.769286 0.707825 C\n0.885165 0.865721 0.311265 C\n0.671509 0.445113 0.911609 C\n0.933238 0.517567 0.684930 C\n0.752188 0.155729 0.597332 C\n0.267603 0.340046 0.737894 C\n0.268664 0.020736 0.147520 C\n0.171509 0.554887 0.588391 C\n0.732397 0.659954 0.262106 C\n0.566762 0.517567 0.184930 C\n0.385165 0.134279 0.188735 C\n0.433238 0.482433 0.815070 C\n0.099652 0.033217 0.545117 C\n0.973422 0.651106 0.123344 C\n0.938701 0.230714 0.792175 C\n0.767603 0.659954 0.762106 C\n0.635560 0.280535 0.730350 Se\n0.864440 0.280535 0.230350 Se\n0.135560 0.719465 0.769650 Se\n0.364440 0.719465 0.269650 Se\n0.399512 0.513187 0.578798 S\n0.899512 0.486813 0.921202 S\n0.801301 0.327703 0.852167 S\n0.100488 0.513187 0.078798 S\n0.961604 0.181718 0.196810 S\n0.698699 0.327703 0.352167 S\n0.600488 0.486813 0.421202 S\n0.301301 0.672297 0.647833 S\n0.198699 0.672297 0.147833 S\n0.538396 0.181718 0.696810 S\n0.038396 0.818282 0.803190 S\n0.461604 0.818282 0.303190 S\n0.589793 0.655324 0.597424 O\n0.592260 0.966151 0.545222 O\n0.765990 0.774197 0.674636 O\n0.685814 0.111703 0.113566 O\n0.107508 0.583236 0.581738 O\n0.407740 0.033849 0.454778 O\n0.896120 0.757744 0.317250 O\n0.435248 0.380953 0.912060 O\n0.564752 0.619047 0.087940 O\n0.092260 0.033849 0.954778 O\n0.314186 0.888297 0.886434 O\n0.603880 0.757744 0.817250 O\n0.921984 0.927423 0.550290 O\n0.706575 0.944998 0.384342 O\n0.578016 0.927423 0.050290 O\n0.255530 0.400153 0.941560 O\n0.206575 0.055002 0.115658 O\n0.234010 0.225803 0.325364 O\n0.734010 0.774197 0.174636 O\n0.793425 0.944998 0.884342 O\n0.185814 0.888297 0.386434 O\n0.910207 0.655324 0.097424 O\n0.293425 0.055002 0.615658 O\n0.935248 0.619047 0.587940 O\n0.064752 0.380953 0.412060 O\n0.443006 0.851551 0.736666 O\n0.892492 0.416764 0.418262 O\n0.392492 0.583236 0.081738 O\n0.244470 0.400153 0.441560 O\n0.755530 0.599847 0.558440 O\n0.907740 0.966151 0.045222 O\n0.556994 0.148449 0.263334 O\n0.943006 0.148449 0.763334 O\n0.078016 0.072577 0.449710 O\n0.421984 0.072577 0.949710 O\n0.056994 0.851551 0.236666 O\n0.814186 0.111703 0.613566 O\n0.607508 0.416764 0.918262 O\n0.410207 0.344676 0.402576 O\n0.744470 0.599847 0.058440 O\n0.396120 0.242256 0.182750 O\n0.103880 0.242256 0.682750 O\n0.265990 0.225803 0.825364 O\n0.089793 0.344676 0.902576 O\n","nsites":120,"nelements":6,"elements":["Fe","Mo","C","Se","S","O"],"chemical_system":"C-Fe-Mo-O-S-Se","density":2.306407411693791,"density_atomic":0.05580050470475188,"volume":2150.518183212436,"volume_molar":10.792269338537299,"formula_full":"Fe12 Mo4 C44 Se4 S12 O44","formula_reduced":"Fe3MoC11SeS3O11","formula_anonymous":"ABC3D3E11F11","energy":-902.68962268,"energy_per_atom":-7.522413522333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-824.65762268,"band_gap":1.6811,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0586831,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.950000Z","spacegroup":14},{"id":"mp-1195110","created_at":"2022-09-04T14:45:37.217772Z","structure_string":"Na2 Fe2 H44 C20 N4 O24\n1.0\n-8.404198 0.033126 0.038591\n0.025931 -9.411327 0.243626\n0.029257 0.854844 12.717646\nNa Fe H C N O\n2 2 44 20 4 24\ndirect\n0.768882 0.745512 0.752808 Na\n0.231118 0.254488 0.247192 Na\n0.265884 0.255805 0.747055 Fe\n0.734116 0.744195 0.252945 Fe\n0.916527 0.187207 0.985953 H\n0.083473 0.812793 0.014047 H\n0.755151 0.127353 0.912621 H\n0.244849 0.872647 0.087379 H\n0.792605 0.187174 0.389787 H\n0.207395 0.812826 0.610213 H\n0.598704 0.215282 0.434188 H\n0.401296 0.784718 0.565812 H\n0.805151 0.378329 0.889583 H\n0.194849 0.621671 0.110417 H\n0.621238 0.350668 0.956936 H\n0.378762 0.649332 0.043064 H\n0.792947 0.407951 0.029611 H\n0.207053 0.592049 0.970389 H\n0.244504 0.975850 0.918749 H\n0.755496 0.024150 0.081251 H\n0.409369 0.857339 0.931140 H\n0.590631 0.142661 0.068860 H\n0.238749 0.801287 0.857400 H\n0.761251 0.198713 0.142600 H\n0.328249 0.564471 0.482682 H\n0.671751 0.435529 0.517318 H\n0.286423 0.568275 0.620917 H\n0.713577 0.431725 0.379083 H\n0.128672 0.586977 0.528431 H\n0.871328 0.413023 0.471569 H\n0.690970 0.215933 0.612855 H\n0.309030 0.784067 0.387145 H\n0.731377 0.051225 0.543355 H\n0.268623 0.948775 0.456645 H\n0.887811 0.180450 0.565691 H\n0.112189 0.819550 0.434309 H\n0.314836 0.304622 0.985530 H\n0.685164 0.695378 0.014470 H\n0.964216 0.059975 0.754646 H\n0.035784 0.940025 0.245354 H\n0.055484 0.490220 0.807010 H\n0.944516 0.509780 0.192990 H\n0.565043 0.433403 0.730247 H\n0.434957 0.566597 0.269753 H\n0.480639 0.000300 0.710391 H\n0.519361 0.999700 0.289609 H\n0.186150 0.234641 0.519483 H\n0.813850 0.765359 0.480517 H\n0.193039 0.259378 0.978332 C\n0.806961 0.740622 0.021668 C\n0.056623 0.995596 0.713169 C\n0.943377 0.004404 0.286831 C\n0.002279 0.454497 0.730724 C\n0.997721 0.545503 0.269276 C\n0.484730 0.502991 0.778460 C\n0.515270 0.497009 0.221540 C\n0.537705 0.058594 0.777770 C\n0.462295 0.941406 0.222230 C\n0.318130 0.240389 0.517373 C\n0.681870 0.759611 0.482627 C\n0.750578 0.342772 0.962163 C\n0.249422 0.657228 0.037837 C\n0.279922 0.865021 0.925800 C\n0.720078 0.134979 0.074200 C\n0.253629 0.610940 0.545467 C\n0.746371 0.389060 0.454533 C\n0.760975 0.164716 0.549682 C\n0.239025 0.835284 0.450318 C\n0.793103 0.191730 0.977910 N\n0.206897 0.808270 0.022090 N\n0.720728 0.232414 0.449653 N\n0.279272 0.767586 0.550347 N\n0.345213 0.449811 0.797718 O\n0.654787 0.550189 0.202282 O\n0.141830 0.231779 0.884195 O\n0.858170 0.768221 0.115805 O\n0.387599 0.263622 0.606332 O\n0.612401 0.736378 0.393668 O\n0.070345 0.344817 0.684873 O\n0.929655 0.655183 0.315127 O\n0.191809 0.056403 0.697217 O\n0.808191 0.943597 0.302783 O\n0.465393 0.170429 0.813633 O\n0.534607 0.829572 0.186367 O\n0.886797 0.519075 0.695322 O\n0.113203 0.480925 0.304678 O\n0.665311 0.012333 0.813908 O\n0.334689 0.987667 0.186092 O\n0.025449 0.869578 0.684435 O\n0.974551 0.130422 0.315565 O\n0.530725 0.623416 0.809565 O\n0.469275 0.376584 0.190435 O\n0.387792 0.224495 0.430526 O\n0.612208 0.775505 0.569474 O\n0.113170 0.237770 0.059098 O\n0.886830 0.762230 0.940902 O\n","nsites":96,"nelements":6,"elements":["Na","Fe","H","C","N","O"],"chemical_system":"C-Fe-H-N-Na-O","density":1.4538821852755583,"density_atomic":0.09527127951922354,"volume":1007.648899904083,"volume_molar":6.321045324876602,"formula_full":"Na2 Fe2 H44 C20 N4 O24","formula_reduced":"NaFeH22C10(NO6)2","formula_anonymous":"ABC2D10E12F22","energy":-587.9263495099999,"energy_per_atom":-6.124232807395832,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-565.48234951,"band_gap":2.5615,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9.9976038,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.836000Z","spacegroup":2},{"id":"mp-1221835","created_at":"2022-09-04T14:45:42.700074Z","structure_string":"Na6 Co4 Cu2 H16 S8 O34\n1.0\n-7.462481 0.000000 1.423751\n0.076417 0.000000 -7.891865\n0.000000 -14.338538 0.000000\nNa Co Cu H S O\n6 4 2 16 8 34\ndirect\n0.617832 0.290780 0.749230 Na\n0.382168 0.709220 0.249230 Na\n0.057112 0.324460 0.606981 Na\n0.942888 0.675540 0.106981 Na\n0.969197 0.688644 0.401461 Na\n0.030803 0.311356 0.901461 Na\n0.265082 0.840485 0.613448 Co\n0.734918 0.159515 0.113448 Co\n0.736022 0.160376 0.387595 Co\n0.263978 0.839624 0.887595 Co\n0.787891 0.774479 0.749534 Cu\n0.212109 0.225521 0.249534 Cu\n0.541265 0.698311 0.538613 H\n0.458735 0.301689 0.038613 H\n0.459771 0.301905 0.461480 H\n0.540229 0.698095 0.961480 H\n0.352741 0.626682 0.486808 H\n0.647259 0.373318 0.986808 H\n0.648231 0.373554 0.513089 H\n0.351769 0.626446 0.013089 H\n0.804044 0.940092 0.519760 H\n0.195956 0.059908 0.019760 H\n0.194626 0.059634 0.479847 H\n0.805374 0.940366 0.979847 H\n0.685591 0.055527 0.566673 H\n0.314409 0.944473 0.066673 H\n0.314904 0.944917 0.433807 H\n0.685096 0.055083 0.933807 H\n0.843542 0.634847 0.617098 S\n0.156458 0.365153 0.117098 S\n0.156137 0.364669 0.381708 S\n0.843863 0.635331 0.881708 S\n0.009019 0.022171 0.750627 S\n0.990981 0.977829 0.250627 S\n0.538383 0.894456 0.750295 S\n0.461617 0.105544 0.250295 S\n0.531046 0.005491 0.663341 O\n0.468954 0.994509 0.163341 O\n0.467919 0.993208 0.336764 O\n0.532081 0.006792 0.836764 O\n0.775327 0.716358 0.530663 O\n0.224673 0.283642 0.030663 O\n0.222813 0.282440 0.468070 O\n0.777187 0.717560 0.968070 O\n0.933256 0.184471 0.750875 O\n0.066744 0.815529 0.250875 O\n0.125213 0.027800 0.663890 O\n0.874787 0.972200 0.163890 O\n0.874038 0.971217 0.337120 O\n0.125962 0.028783 0.837120 O\n0.757036 0.444497 0.616750 O\n0.242964 0.555503 0.116750 O\n0.246281 0.554584 0.381906 O\n0.753719 0.445416 0.881906 O\n0.408969 0.686161 0.543751 O\n0.591031 0.313839 0.043751 O\n0.592217 0.319854 0.454544 O\n0.407783 0.680146 0.954544 O\n0.043185 0.638910 0.599594 O\n0.956815 0.361090 0.099594 O\n0.957067 0.364620 0.398175 O\n0.042933 0.635380 0.898175 O\n0.781815 0.060633 0.519483 O\n0.218185 0.939367 0.019483 O\n0.216894 0.938967 0.480120 O\n0.783106 0.061033 0.980120 O\n0.349403 0.774963 0.750679 O\n0.650597 0.225037 0.250679 O\n0.336494 0.375757 0.706722 O\n0.663506 0.624243 0.206722 O\n","nsites":70,"nelements":6,"elements":["Na","Co","Cu","H","S","O"],"chemical_system":"Co-Cu-H-Na-O-S","density":2.5953669635565904,"density_atomic":0.08304879597034207,"volume":842.8779632759278,"volume_molar":7.251328197642496,"formula_full":"Na6 Co4 Cu2 H16 S8 O34","formula_reduced":"Na3Co2CuH8S4O17","formula_anonymous":"AB2C3D4E8F17","energy":-402.9661701600001,"energy_per_atom":-5.756659573714288,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-373.05617016,"band_gap":0.3119,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.0000013,"is_theoretical":true,"updated_at":"2021-11-28T01:37:10.431000Z","spacegroup":4},{"id":"mp-1203874","created_at":"2022-09-04T14:45:43.122986Z","structure_string":"Na4 Sn4 P4 H4 O16 F4\n1.0\n4.971341 0.000000 0.000000\n0.000000 5.319396 0.000000\n0.000000 0.000000 19.364438\nNa Sn P H O F\n4 4 4 4 16 4\ndirect\n0.253149 0.250000 0.508617 Na\n0.753149 0.250000 0.991383 Na\n0.746851 0.750000 0.491383 Na\n0.246851 0.750000 0.008617 Na\n0.704941 0.250000 0.361556 Sn\n0.204941 0.250000 0.138444 Sn\n0.295059 0.750000 0.638444 Sn\n0.795059 0.750000 0.861556 Sn\n0.276027 0.750000 0.372840 P\n0.776027 0.750000 0.127160 P\n0.723973 0.250000 0.627160 P\n0.223973 0.250000 0.872840 P\n0.205270 0.750000 0.260851 H\n0.705270 0.750000 0.239149 H\n0.794730 0.250000 0.739149 H\n0.294730 0.250000 0.760851 H\n0.407704 0.987048 0.404767 O\n0.907704 0.512952 0.095233 O\n0.592296 0.487048 0.595233 O\n0.092296 0.012952 0.904767 O\n0.592296 0.012952 0.595233 O\n0.092296 0.487048 0.904767 O\n0.407704 0.512952 0.404767 O\n0.907704 0.987048 0.095233 O\n0.971135 0.750000 0.376956 O\n0.471135 0.750000 0.123044 O\n0.028865 0.250000 0.623044 O\n0.528865 0.250000 0.876956 O\n0.364992 0.750000 0.291354 O\n0.864992 0.750000 0.208646 O\n0.635008 0.250000 0.708646 O\n0.135008 0.250000 0.791354 O\n0.830012 0.250000 0.463566 F\n0.330012 0.250000 0.036434 F\n0.169988 0.750000 0.536434 F\n0.669988 0.750000 0.963566 F\n","nsites":36,"nelements":6,"elements":["Na","Sn","P","H","O","F"],"chemical_system":"F-H-Na-O-P-Sn","density":3.329324087051451,"density_atomic":0.07030103635656575,"volume":512.0834893159835,"volume_molar":8.566219037591136,"formula_full":"Na4 Sn4 P4 H4 O16 F4","formula_reduced":"NaSnPHO4F","formula_anonymous":"ABCDEF4","energy":-227.19875497,"energy_per_atom":-6.311076526944444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.35875497,"band_gap":3.7328,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000239,"is_theoretical":false,"updated_at":"2021-11-28T01:37:15.359000Z","spacegroup":62}]}