{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=48","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=46","results":[{"id":"mp-1244974","created_at":"2022-09-04T14:42:09.218282Z","structure_string":"Zn50 S50\n1.0\n12.380626 -0.324132 -0.639312\n-0.319221 13.561417 0.187907\n-0.624157 0.188796 13.613187\nZn S\n50 50\ndirect\n0.340638 0.540976 0.978111 Zn\n0.487625 0.246638 0.785755 Zn\n0.684841 0.213748 0.959326 Zn\n0.513695 0.082038 0.580842 Zn\n0.094113 0.807331 0.241923 Zn\n0.997643 0.625415 0.512760 Zn\n0.018385 0.119581 0.972128 Zn\n0.600271 0.636140 0.098123 Zn\n0.987888 0.345720 0.925567 Zn\n0.281222 0.159275 0.908617 Zn\n0.593140 0.472816 0.496797 Zn\n0.768886 0.574250 0.880774 Zn\n0.629904 0.932489 0.007631 Zn\n0.900286 0.271510 0.177936 Zn\n0.143632 0.597382 0.398887 Zn\n0.545748 0.368181 0.114532 Zn\n0.245533 0.198562 0.575296 Zn\n0.897529 0.989604 0.232644 Zn\n0.454940 0.167477 0.169101 Zn\n0.125037 0.775647 0.460375 Zn\n0.204121 0.020710 0.168223 Zn\n0.550012 0.740141 0.334907 Zn\n0.934059 0.119915 0.435408 Zn\n0.691539 0.097395 0.527380 Zn\n0.188160 0.289771 0.150029 Zn\n0.247530 0.979419 0.949823 Zn\n0.846504 0.815619 0.067118 Zn\n0.560519 0.550456 0.683045 Zn\n0.718183 0.359024 0.710281 Zn\n0.783976 0.770255 0.765028 Zn\n0.291765 0.743855 0.370934 Zn\n0.327233 0.725945 0.743380 Zn\n0.502770 0.790619 0.585949 Zn\n0.866199 0.568376 0.126172 Zn\n0.471791 0.028602 0.391256 Zn\n0.059800 0.795911 0.623552 Zn\n0.670878 0.250443 0.341649 Zn\n0.025529 0.389103 0.600102 Zn\n0.994576 0.167222 0.699878 Zn\n0.415895 0.545436 0.210960 Zn\n0.412841 0.560784 0.539582 Zn\n0.779303 0.387863 0.551258 Zn\n0.356477 0.445794 0.683652 Zn\n0.822564 0.843561 0.416717 Zn\n0.439547 0.914977 0.949358 Zn\n0.737624 0.596776 0.476347 Zn\n0.145314 0.534088 0.113424 Zn\n0.035094 0.661649 0.970627 Zn\n0.315924 0.820941 0.069566 Zn\n0.190434 0.943961 0.564534 Zn\n0.783983 0.883215 0.891272 S\n0.973201 0.137584 0.271929 S\n0.508015 0.867275 0.436192 S\n0.802070 0.020736 0.826207 S\n0.141564 0.255806 0.977954 S\n0.285844 0.160554 0.224218 S\n0.753606 0.499538 0.240017 S\n0.986206 0.718532 0.126720 S\n0.513415 0.223808 0.017599 S\n0.222050 0.481697 0.541327 S\n0.396068 0.889482 0.771831 S\n0.653301 0.203781 0.787353 S\n0.531041 0.336274 0.401345 S\n0.145667 0.744749 0.775459 S\n0.294336 0.553646 0.804333 S\n0.815527 0.993498 0.484478 S\n0.086536 0.974404 0.040155 S\n0.068062 0.506564 0.260252 S\n0.241202 0.942842 0.751215 S\n0.924294 0.466480 0.474645 S\n0.868469 0.224912 0.010011 S\n0.864368 0.800623 0.611527 S\n0.968728 0.041952 0.816893 S\n0.976778 0.487978 0.017441 S\n0.521201 0.504744 0.012759 S\n0.077194 0.106365 0.572518 S\n0.448486 0.375097 0.264445 S\n0.160802 0.338293 0.503338 S\n0.644187 0.463059 0.814818 S\n0.858491 0.645407 0.609431 S\n0.728832 0.349903 0.200678 S\n0.743459 0.671534 0.014392 S\n0.733023 0.709151 0.348304 S\n0.333266 0.706383 0.578210 S\n0.270855 0.865950 0.228713 S\n0.061162 0.350609 0.257596 S\n0.475027 0.715336 0.169455 S\n0.320828 0.277716 0.730307 S\n0.799513 0.232797 0.474944 S\n0.751407 0.918134 0.149257 S\n0.414222 0.610831 0.373264 S\n0.127030 0.584991 0.782455 S\n0.335817 0.064927 0.511583 S\n0.581338 0.100809 0.281448 S\n0.915338 0.659520 0.831117 S\n0.600607 0.718695 0.715059 S\n0.964294 0.323865 0.743221 S\n0.994017 0.882890 0.348579 S\n0.289185 0.436121 0.109171 S\n0.223906 0.667532 0.022047 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.5519539829331173,"density_atomic":0.0438893794563841,"volume":2278.4555452504605,"volume_molar":13.721180008900822,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-329.55884196,"energy_per_atom":-3.2955884196,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.40884196,"band_gap":0.916,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.587000Z","spacegroup":1},{"id":"mp-1245035","created_at":"2022-09-04T14:41:48.043761Z","structure_string":"Zn50 S50\n1.0\n13.222777 0.257808 -0.865388\n0.232372 13.073184 -0.569484\n-0.818909 -0.569021 14.090419\nZn S\n50 50\ndirect\n0.380810 0.855027 0.474320 Zn\n0.402805 0.590738 0.447920 Zn\n0.014478 0.939825 0.811879 Zn\n0.589440 0.441947 0.281933 Zn\n0.209789 0.860840 0.536135 Zn\n0.495874 0.005313 0.304188 Zn\n0.787061 0.844001 0.299928 Zn\n0.295884 0.179837 0.235876 Zn\n0.468079 0.539660 0.963822 Zn\n0.879744 0.723820 0.119120 Zn\n0.725184 0.371669 0.789250 Zn\n0.484861 0.979613 0.906340 Zn\n0.261078 0.154654 0.624074 Zn\n0.641625 0.136820 0.860327 Zn\n0.784381 0.889691 0.749008 Zn\n0.670707 0.607983 0.120748 Zn\n0.190715 0.665406 0.761344 Zn\n0.999632 0.030225 0.658247 Zn\n0.253202 0.224563 0.960682 Zn\n0.007560 0.382227 0.923868 Zn\n0.290264 0.981459 0.974472 Zn\n0.173243 0.996334 0.751487 Zn\n0.584364 0.445936 0.560885 Zn\n0.379379 0.814922 0.660503 Zn\n0.691369 0.579134 0.491452 Zn\n0.115067 0.759053 0.987441 Zn\n0.531257 0.286361 0.982422 Zn\n0.839055 0.311308 0.277853 Zn\n0.040710 0.338667 0.601518 Zn\n0.483209 0.323116 0.664631 Zn\n0.650420 0.617330 0.660796 Zn\n0.569602 0.953209 0.634158 Zn\n0.918725 0.067257 0.225773 Zn\n0.472828 0.229616 0.139192 Zn\n0.431909 0.506488 0.657252 Zn\n0.410203 0.715780 0.955783 Zn\n0.768063 0.142943 0.625188 Zn\n0.238103 0.556230 0.334002 Zn\n0.221666 0.482643 0.854124 Zn\n0.887796 0.043937 0.417318 Zn\n0.818981 0.608969 0.891220 Zn\n0.620390 0.889280 0.481365 Zn\n0.400836 0.413586 0.115118 Zn\n0.916051 0.543567 0.316711 Zn\n0.237243 0.597831 0.521948 Zn\n0.144290 0.364907 0.183939 Zn\n0.958441 0.936350 0.028005 Zn\n0.856767 0.328134 0.053477 Zn\n0.818166 0.386743 0.513753 Zn\n0.373276 0.285217 0.414216 Zn\n0.431677 0.878077 0.017258 S\n0.684240 0.366640 0.073147 S\n0.073605 0.641960 0.347352 S\n0.077230 0.247434 0.792372 S\n0.257131 0.497363 0.180663 S\n0.125926 0.931899 0.955469 S\n0.028188 0.795734 0.115705 S\n0.800248 0.671835 0.247163 S\n0.707463 0.049491 0.737814 S\n0.960153 0.213521 0.681095 S\n0.897916 0.840074 0.869849 S\n0.507484 0.892394 0.762398 S\n0.212818 0.819017 0.702849 S\n0.522910 0.555609 0.168207 S\n0.779776 0.737749 0.648607 S\n0.950563 0.402809 0.195481 S\n0.582479 0.105454 0.996623 S\n0.855425 0.298827 0.890595 S\n0.472277 0.665344 0.611199 S\n0.108360 0.285803 0.027371 S\n0.486046 0.724644 0.388669 S\n0.678881 0.542572 0.802473 S\n0.352930 0.911878 0.304264 S\n0.941156 0.918191 0.309308 S\n0.325163 0.126433 0.086093 S\n0.146053 0.031416 0.567032 S\n0.413030 0.767310 0.256263 S\n0.473792 0.178800 0.302440 S\n0.757072 0.469693 0.370898 S\n0.056114 0.533164 0.777744 S\n0.739854 0.698053 0.010768 S\n0.184621 0.298042 0.709008 S\n0.301265 0.091157 0.840573 S\n0.932024 0.191669 0.358959 S\n0.401655 0.199246 0.559519 S\n0.203919 0.279530 0.330510 S\n0.746396 0.749567 0.499737 S\n0.661308 0.956965 0.343659 S\n0.717684 0.311455 0.609423 S\n0.258452 0.523533 0.669146 S\n0.345917 0.386248 0.939119 S\n0.098294 0.710984 0.490011 S\n0.993261 0.562883 0.909704 S\n0.240804 0.658804 0.926860 S\n0.667435 0.295018 0.196877 S\n0.846981 0.001808 0.557745 S\n0.483840 0.427551 0.408732 S\n0.970113 0.457581 0.515613 S\n0.571347 0.293495 0.815609 S\n0.884140 0.088489 0.072444 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.3420416957419032,"density_atomic":0.04129561836900513,"volume":2421.5644165061362,"volume_molar":14.583001775607219,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-332.42276296,"energy_per_atom":-3.3242276296,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.27276296,"band_gap":1.3048000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.563000Z","spacegroup":1},{"id":"mp-554503","created_at":"2022-09-04T14:43:36.274684Z","structure_string":"Zn28 S28\n1.0\n1.926527 -3.336842 0.000000\n1.926527 3.336842 0.000000\n0.000000 0.000000 88.154727\nZn S\n28 28\ndirect\n0.000000 0.000000 0.071430 Zn\n0.333333 0.666667 0.928578 Zn\n0.333333 0.666667 0.321430 Zn\n0.333333 0.666667 0.678570 Zn\n0.666667 0.333333 0.142860 Zn\n0.666667 0.333333 0.357144 Zn\n0.000000 0.000000 0.392860 Zn\n0.666667 0.333333 0.464290 Zn\n0.666667 0.333333 0.571426 Zn\n0.333333 0.666667 0.214290 Zn\n0.000000 0.000000 0.964287 Zn\n0.666667 0.333333 0.642868 Zn\n0.666667 0.333333 0.785718 Zn\n0.000000 0.000000 0.285716 Zn\n0.000000 0.000000 0.607141 Zn\n0.333333 0.666667 0.535716 Zn\n0.000000 0.000000 0.714288 Zn\n0.000000 0.000000 0.821457 Zn\n0.333333 0.666667 0.107143 Zn\n0.666667 0.333333 0.035716 Zn\n0.666667 0.333333 0.892858 Zn\n0.000000 0.000000 0.178574 Zn\n0.333333 0.666667 0.750011 Zn\n0.000000 0.000000 0.500004 Zn\n0.333333 0.666667 0.857142 Zn\n0.333333 0.666667 0.428574 Zn\n0.666667 0.333333 0.250004 Zn\n0.333333 0.666667 0.000011 Zn\n0.000000 0.000000 0.205355 S\n0.333333 0.666667 0.348210 S\n0.666667 0.333333 0.812508 S\n0.333333 0.666667 0.776783 S\n0.333333 0.666667 0.455355 S\n0.333333 0.666667 0.026783 S\n0.000000 0.000000 0.633947 S\n0.000000 0.000000 0.848227 S\n0.000000 0.000000 0.419640 S\n0.000000 0.000000 0.526786 S\n0.000000 0.000000 0.098208 S\n0.333333 0.666667 0.133925 S\n0.000000 0.000000 0.312496 S\n0.666667 0.333333 0.169640 S\n0.666667 0.333333 0.598190 S\n0.333333 0.666667 0.883906 S\n0.333333 0.666667 0.241070 S\n0.333333 0.666667 0.705335 S\n0.000000 0.000000 0.991090 S\n0.666667 0.333333 0.919661 S\n0.666667 0.333333 0.669639 S\n0.000000 0.000000 0.741091 S\n0.333333 0.666667 0.955334 S\n0.666667 0.333333 0.276786 S\n0.666667 0.333333 0.062496 S\n0.666667 0.333333 0.383926 S\n0.666667 0.333333 0.491070 S\n0.333333 0.666667 0.562496 S\n","nsites":56,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9986148405230404,"density_atomic":0.049408501596274516,"volume":1133.4081826157321,"volume_molar":12.188470739728077,"formula_full":"Zn28 S28","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-210.58598288,"energy_per_atom":-3.76046398,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.50198288,"band_gap":2.0191,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.28e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:15.534000Z","spacegroup":156},{"id":"mp-1245319","created_at":"2022-09-04T14:45:23.803496Z","structure_string":"Zn50 S50\n1.0\n12.765231 -0.031592 0.259909\n-0.018742 12.898232 -0.510633\n0.251933 -0.503399 14.397244\nZn S\n50 50\ndirect\n0.357832 0.768152 0.924097 Zn\n0.344419 0.309510 0.227144 Zn\n0.518849 0.402434 0.070817 Zn\n0.616180 0.309347 0.722175 Zn\n0.169218 0.117071 0.195702 Zn\n0.893310 0.362564 0.643252 Zn\n0.380502 0.932564 0.760125 Zn\n0.691953 0.164667 0.180104 Zn\n0.191642 0.129817 0.895087 Zn\n0.617345 0.875862 0.784940 Zn\n0.840908 0.446143 0.427028 Zn\n0.596179 0.844876 0.212475 Zn\n0.853866 0.746005 0.990119 Zn\n0.863868 0.985465 0.089052 Zn\n0.200886 0.632432 0.098940 Zn\n0.698057 0.532234 0.933909 Zn\n0.164311 0.154923 0.609508 Zn\n0.991676 0.776246 0.234655 Zn\n0.027962 0.984674 0.412185 Zn\n0.956564 0.016889 0.722858 Zn\n0.007604 0.350205 0.012524 Zn\n0.729075 0.094809 0.536265 Zn\n0.944518 0.323744 0.168364 Zn\n0.478367 0.198975 0.514601 Zn\n0.432978 0.032987 0.032172 Zn\n0.183483 0.763349 0.592361 Zn\n0.829445 0.959933 0.832590 Zn\n0.534441 0.688055 0.125231 Zn\n0.622013 0.024835 0.032044 Zn\n0.719084 0.916416 0.485780 Zn\n0.322509 0.846346 0.161792 Zn\n0.057409 0.470201 0.601046 Zn\n0.392659 0.776576 0.326967 Zn\n0.212293 0.281816 0.409965 Zn\n0.328352 0.053913 0.372520 Zn\n0.753060 0.661214 0.275578 Zn\n0.653914 0.374484 0.252411 Zn\n0.671719 0.525048 0.630885 Zn\n0.036396 0.330467 0.750560 Zn\n0.511588 0.538637 0.373196 Zn\n0.219345 0.531557 0.360194 Zn\n0.304154 0.477945 0.603875 Zn\n0.457519 0.229992 0.888088 Zn\n0.884797 0.611008 0.158183 Zn\n0.637687 0.060053 0.830033 Zn\n0.016902 0.670093 0.729993 Zn\n0.949847 0.544903 0.847497 Zn\n0.821599 0.656472 0.758261 Zn\n0.350549 0.487398 0.901668 Zn\n0.968024 0.725225 0.494004 Zn\n0.677277 0.821035 0.625790 S\n0.012470 0.121462 0.120826 S\n0.320000 0.901886 0.608759 S\n0.040489 0.157204 0.982783 S\n0.185438 0.328842 0.566062 S\n0.328959 0.155610 0.139759 S\n0.179584 0.376233 0.283767 S\n0.960678 0.838739 0.084892 S\n0.681803 0.309153 0.098664 S\n0.770359 0.480123 0.789278 S\n0.580401 0.164470 0.624549 S\n0.545500 0.474317 0.742890 S\n0.396748 0.222524 0.388505 S\n0.248478 0.629092 0.943533 S\n0.359009 0.525137 0.461282 S\n0.883225 0.296144 0.324670 S\n0.455799 0.780321 0.789889 S\n0.352407 0.668716 0.190945 S\n0.013366 0.814268 0.637114 S\n0.757318 0.680350 0.608363 S\n0.856807 0.569161 0.001032 S\n0.886262 0.188587 0.556851 S\n0.788499 0.063932 0.969289 S\n0.147974 0.107076 0.356136 S\n0.539340 0.562620 0.999166 S\n0.096131 0.158490 0.761693 S\n0.694983 0.516298 0.353826 S\n0.152999 0.701128 0.423295 S\n0.368855 0.345872 0.986201 S\n0.748206 0.381131 0.554905 S\n0.074189 0.427625 0.883244 S\n0.762481 0.789296 0.863907 S\n0.515730 0.720969 0.424192 S\n0.987350 0.541291 0.472238 S\n0.157667 0.869128 0.247904 S\n0.179698 0.604307 0.665893 S\n0.708115 0.989625 0.184812 S\n0.632813 0.237236 0.861766 S\n0.385965 0.429797 0.735833 S\n0.650115 0.793216 0.368360 S\n0.476930 0.429362 0.234684 S\n0.358595 0.079013 0.861687 S\n0.211900 0.839796 0.377940 S\n0.430309 0.939059 0.272706 S\n0.730818 0.234328 0.332665 S\n0.303051 0.904695 0.021354 S\n0.997081 0.069838 0.564928 S\n0.918276 0.844252 0.383458 S\n0.303172 0.044711 0.548779 S\n0.060466 0.606449 0.197651 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4200038181328676,"density_atomic":0.042258949873096446,"volume":2366.362635614463,"volume_molar":14.250568880874887,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-332.55026794,"energy_per_atom":-3.3255026794000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.40026794,"band_gap":1.4092999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.079000Z","spacegroup":1},{"id":"mp-554681","created_at":"2022-09-04T14:48:20.698496Z","structure_string":"Zn28 S28\n1.0\n1.926569 -3.336915 0.000000\n1.926569 3.336915 0.000000\n0.000000 0.000000 88.144620\nZn S\n28 28\ndirect\n0.000000 0.000000 0.071430 Zn\n0.333333 0.666667 0.321430 Zn\n0.333333 0.666667 0.214291 Zn\n0.666667 0.333333 0.142861 Zn\n0.666667 0.333333 0.357143 Zn\n0.000000 0.000000 0.392860 Zn\n0.666667 0.333333 0.464291 Zn\n0.333333 0.666667 0.642860 Zn\n0.000000 0.000000 0.785719 Zn\n0.666667 0.333333 0.571431 Zn\n0.333333 0.666667 0.535714 Zn\n0.666667 0.333333 0.892865 Zn\n0.666667 0.333333 0.821430 Zn\n0.666667 0.333333 0.964295 Zn\n0.000000 0.000000 0.285714 Zn\n0.000000 0.000000 0.607143 Zn\n0.666667 0.333333 0.678573 Zn\n0.000000 0.000000 0.714291 Zn\n0.333333 0.666667 0.107143 Zn\n0.000000 0.000000 0.928570 Zn\n0.666667 0.333333 0.035718 Zn\n0.000000 0.000000 0.178573 Zn\n0.333333 0.666667 0.000000 Zn\n0.000000 0.000000 0.500003 Zn\n0.333333 0.666667 0.857140 Zn\n0.333333 0.666667 0.428573 Zn\n0.666667 0.333333 0.250003 Zn\n0.333333 0.666667 0.750000 Zn\n0.000000 0.000000 0.205357 S\n0.666667 0.333333 0.848194 S\n0.333333 0.666667 0.776800 S\n0.666667 0.333333 0.991054 S\n0.666667 0.333333 0.705357 S\n0.333333 0.666667 0.455357 S\n0.000000 0.000000 0.633927 S\n0.333333 0.666667 0.026800 S\n0.333333 0.666667 0.348210 S\n0.333333 0.666667 0.883941 S\n0.000000 0.000000 0.419640 S\n0.000000 0.000000 0.098208 S\n0.333333 0.666667 0.133927 S\n0.000000 0.000000 0.312497 S\n0.000000 0.000000 0.526787 S\n0.666667 0.333333 0.169640 S\n0.333333 0.666667 0.669640 S\n0.666667 0.333333 0.598208 S\n0.333333 0.666667 0.241070 S\n0.000000 0.000000 0.741056 S\n0.000000 0.000000 0.812496 S\n0.666667 0.333333 0.919625 S\n0.000000 0.000000 0.955371 S\n0.666667 0.333333 0.383927 S\n0.666667 0.333333 0.276787 S\n0.666667 0.333333 0.062496 S\n0.666667 0.333333 0.491070 S\n0.333333 0.666667 0.562497 S\n","nsites":56,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9988986717818142,"density_atomic":0.04941200873005997,"volume":1133.3277362984882,"volume_molar":12.187605634288673,"formula_full":"Zn28 S28","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-210.58586554,"energy_per_atom":-3.760461884642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.50186554,"band_gap":2.0164,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.44e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:39:32.107000Z","spacegroup":156},{"id":"mp-1245136","created_at":"2022-09-04T14:40:14.725989Z","structure_string":"Zn50 S50\n1.0\n13.923851 -0.358363 0.471870\n-0.437071 13.015052 0.539493\n0.493992 0.556074 13.178226\nZn S\n50 50\ndirect\n0.350620 0.392414 0.115478 Zn\n0.514781 0.342783 0.524600 Zn\n0.636280 0.315243 0.368056 Zn\n0.931539 0.967667 0.966483 Zn\n0.546715 0.162985 0.492606 Zn\n0.575353 0.552766 0.174849 Zn\n0.742735 0.896423 0.078680 Zn\n0.861406 0.325558 0.426491 Zn\n0.883005 0.926541 0.729605 Zn\n0.156555 0.801904 0.079412 Zn\n0.364558 0.076512 0.152944 Zn\n0.035718 0.314507 0.946473 Zn\n0.228260 0.540526 0.626841 Zn\n0.903450 0.756355 0.137867 Zn\n0.689625 0.509773 0.624524 Zn\n0.597065 0.379691 0.016070 Zn\n0.489264 0.804026 0.158422 Zn\n0.007758 0.071084 0.764016 Zn\n0.030160 0.320769 0.230927 Zn\n0.340216 0.650346 0.845807 Zn\n0.154239 0.986794 0.294331 Zn\n0.210664 0.770982 0.819750 Zn\n0.749732 0.477052 0.849578 Zn\n0.026305 0.108528 0.465440 Zn\n0.728353 0.553978 0.390823 Zn\n0.028669 0.663701 0.214548 Zn\n0.818158 0.089572 0.780778 Zn\n0.148653 0.431350 0.291483 Zn\n0.438793 0.499475 0.562115 Zn\n0.452206 0.212086 0.915918 Zn\n0.857961 0.881320 0.360851 Zn\n0.374477 0.302236 0.687258 Zn\n0.781688 0.119308 0.359641 Zn\n0.190109 0.078407 0.983639 Zn\n0.637756 0.764044 0.849732 Zn\n0.494413 0.943254 0.907786 Zn\n0.764947 0.736977 0.578455 Zn\n0.171445 0.695184 0.438867 Zn\n0.235317 0.412283 0.896733 Zn\n0.276658 0.190948 0.257809 Zn\n0.980699 0.680152 0.688533 Zn\n0.360487 0.902571 0.387011 Zn\n0.978951 0.292500 0.666051 Zn\n0.146947 0.929683 0.603838 Zn\n0.419992 0.894607 0.693111 Zn\n0.817235 0.375103 0.122741 Zn\n0.940312 0.503899 0.538629 Zn\n0.198401 0.652835 0.998742 Zn\n0.294913 0.138116 0.641207 Zn\n0.334386 0.560471 0.324641 Zn\n0.370758 0.053385 0.970250 S\n0.628348 0.144283 0.333612 S\n0.690239 0.460503 0.247293 S\n0.259912 0.926704 0.725150 S\n0.316866 0.382034 0.289110 S\n0.809110 0.066760 0.039699 S\n0.395755 0.069642 0.498861 S\n0.196959 0.877027 0.432364 S\n0.715900 0.084295 0.921751 S\n0.729070 0.390279 0.499252 S\n0.088697 0.472705 0.836290 S\n0.849141 0.543968 0.692785 S\n0.043548 0.719309 0.839713 S\n0.327075 0.471024 0.739215 S\n0.087128 0.598169 0.576515 S\n0.980137 0.402471 0.080257 S\n0.130624 0.957526 0.132886 S\n0.465244 0.279367 0.072191 S\n0.590668 0.851072 0.014864 S\n0.730504 0.171038 0.654612 S\n0.644380 0.642088 0.511273 S\n0.948764 0.231676 0.822650 S\n0.110985 0.153399 0.313521 S\n0.111519 0.109219 0.609653 S\n0.186397 0.256425 0.992478 S\n0.003329 0.343949 0.503856 S\n0.475171 0.651583 0.255574 S\n0.739627 0.833953 0.710798 S\n0.309511 0.524425 0.001985 S\n0.334156 0.618112 0.491297 S\n0.895651 0.603417 0.390338 S\n0.854705 0.805705 0.980223 S\n0.472983 0.774591 0.813414 S\n0.084403 0.987001 0.891989 S\n0.911933 0.741459 0.465990 S\n0.874569 0.020134 0.454479 S\n0.992684 0.851725 0.625579 S\n0.775174 0.814722 0.240761 S\n0.174092 0.620532 0.285765 S\n0.588917 0.448600 0.772534 S\n0.562751 0.553178 0.000041 S\n0.459810 0.926433 0.518310 S\n0.624291 0.063923 0.632369 S\n0.044353 0.582727 0.933059 S\n0.696873 0.619575 0.938145 S\n0.442051 0.943286 0.235077 S\n0.506466 0.055496 0.749154 S\n0.746805 0.340861 0.974354 S\n0.533538 0.294270 0.762429 S\n0.865404 0.263682 0.271801 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4023111105436876,"density_atomic":0.042040331625021306,"volume":2378.6682010967443,"volume_molar":14.32467472834058,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-331.72396258,"energy_per_atom":-3.3172396257999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.57396258,"band_gap":1.0427,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:53.361000Z","spacegroup":1},{"id":"mp-18377","created_at":"2022-09-04T14:40:30.555571Z","structure_string":"Zn10 S10\n1.0\n31.490471 -1.929692 0.000000\n31.490471 1.929692 0.000000\n31.372222 0.000000 3.340232\nZn S\n10 10\ndirect\n0.366913 0.366913 0.366913 Zn\n0.066915 0.066915 0.066915 Zn\n0.766916 0.766916 0.766916 Zn\n0.133585 0.133585 0.133585 Zn\n0.500247 0.500247 0.500247 Zn\n0.200247 0.200247 0.200247 Zn\n0.900241 0.900241 0.900241 Zn\n0.266933 0.266933 0.266933 Zn\n0.633580 0.633580 0.633580 Zn\n0.000225 0.000225 0.000225 Zn\n0.341890 0.341890 0.341890 S\n0.041944 0.041944 0.041944 S\n0.741898 0.741898 0.741898 S\n0.108613 0.108613 0.108613 S\n0.475232 0.475232 0.475232 S\n0.175277 0.175277 0.175277 S\n0.875229 0.875229 0.875229 S\n0.241949 0.241949 0.241949 S\n0.608591 0.608591 0.608591 S\n0.975243 0.975243 0.975243 S\n","nsites":20,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.987164052094539,"density_atomic":0.04926701102493601,"volume":405.95115441196947,"volume_molar":12.223474967766878,"formula_full":"Zn10 S10","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-74.17885658,"energy_per_atom":-3.708942829,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.14885658,"band_gap":2.0462,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.17e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.611000Z","spacegroup":160},{"id":"mp-1245246","created_at":"2022-09-04T14:42:25.443581Z","structure_string":"Zn50 S50\n1.0\n13.690060 -0.122279 -0.338751\n-0.110739 13.564430 -0.115909\n-0.291043 -0.137266 12.539369\nZn S\n50 50\ndirect\n0.706497 0.046780 0.576804 Zn\n0.080580 0.532889 0.685614 Zn\n0.927127 0.208865 0.982535 Zn\n0.604485 0.438256 0.596622 Zn\n0.017615 0.053440 0.546222 Zn\n0.549766 0.011480 0.442914 Zn\n0.772994 0.542063 0.294706 Zn\n0.496306 0.820751 0.293151 Zn\n0.503974 0.264568 0.683118 Zn\n0.868973 0.001194 0.163287 Zn\n0.967142 0.470762 0.526656 Zn\n0.467301 0.947889 0.111031 Zn\n0.003894 0.520994 0.279088 Zn\n0.911356 0.230796 0.700937 Zn\n0.431803 0.721124 0.539317 Zn\n0.626516 0.595318 0.012727 Zn\n0.184997 0.955328 0.804844 Zn\n0.218392 0.007103 0.211880 Zn\n0.202562 0.159303 0.092488 Zn\n0.259905 0.512679 0.207424 Zn\n0.039076 0.466320 0.877798 Zn\n0.396519 0.119880 0.901412 Zn\n0.664103 0.319691 0.357153 Zn\n0.738031 0.000183 0.869138 Zn\n0.480597 0.853553 0.932865 Zn\n0.104952 0.738815 0.038870 Zn\n0.514430 0.968111 0.698739 Zn\n0.493273 0.524599 0.330185 Zn\n0.889068 0.269954 0.285684 Zn\n0.281659 0.318485 0.888078 Zn\n0.025110 0.866485 0.392613 Zn\n0.832852 0.831350 0.661060 Zn\n0.107799 0.142045 0.270079 Zn\n0.444549 0.377263 0.108604 Zn\n0.756753 0.299958 0.881604 Zn\n0.315713 0.874179 0.028794 Zn\n0.705572 0.955542 0.367696 Zn\n0.946638 0.406165 0.709082 Zn\n0.272531 0.819238 0.704793 Zn\n0.880000 0.389089 0.017712 Zn\n0.687456 0.652041 0.780797 Zn\n0.695297 0.815370 0.067731 Zn\n0.357438 0.455898 0.613470 Zn\n0.113689 0.732206 0.284824 Zn\n0.155390 0.265958 0.593054 Zn\n0.365291 0.613119 0.940609 Zn\n0.854475 0.744691 0.211870 Zn\n0.927177 0.665853 0.845208 Zn\n0.055954 0.698462 0.468607 Zn\n0.085202 0.819890 0.713227 Zn\n0.613580 0.902881 0.200433 S\n0.356238 0.220024 0.758834 S\n0.403755 0.956382 0.360164 S\n0.626453 0.217817 0.216039 S\n0.210039 0.414194 0.672916 S\n0.251009 0.026162 0.957219 S\n0.858689 0.569466 0.973788 S\n0.728513 0.515319 0.893861 S\n0.835705 0.139032 0.839693 S\n0.152645 0.682108 0.626950 S\n0.028692 0.795203 0.886217 S\n0.612888 0.747633 0.916755 S\n0.068167 0.384698 0.045157 S\n0.475752 0.539532 0.048104 S\n0.909679 0.599166 0.418558 S\n0.860313 0.895667 0.308034 S\n0.532246 0.011436 0.878953 S\n0.215274 0.582571 0.042591 S\n0.428117 0.606376 0.678821 S\n0.603861 0.270796 0.954269 S\n0.649123 0.479409 0.400096 S\n0.576735 0.607962 0.636908 S\n0.071574 0.152745 0.685686 S\n0.862946 0.423735 0.206278 S\n0.352855 0.241059 0.040920 S\n0.972027 0.888057 0.588879 S\n0.436798 0.682221 0.362571 S\n0.774371 0.188039 0.389532 S\n0.612691 0.331933 0.103409 S\n0.829861 0.667882 0.691491 S\n0.232705 0.495250 0.894955 S\n0.100302 0.252256 0.963834 S\n0.392226 0.056167 0.232525 S\n0.946920 0.151591 0.165843 S\n0.845617 0.136439 0.536092 S\n0.152741 0.276543 0.401695 S\n0.395741 0.873786 0.600854 S\n0.704290 0.663693 0.183577 S\n0.669846 0.319248 0.703444 S\n0.109775 0.015739 0.398300 S\n0.378002 0.411642 0.270620 S\n0.206677 0.836333 0.165956 S\n0.164274 0.572745 0.336630 S\n0.334275 0.766510 0.875822 S\n0.700674 0.921812 0.701600 S\n0.990553 0.670353 0.153737 S\n0.460395 0.360420 0.529678 S\n0.020554 0.352002 0.384105 S\n0.546499 0.105890 0.594561 S\n0.815628 0.918916 0.011387 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.478154553705746,"density_atomic":0.042977483871985245,"volume":2326.799779574456,"volume_molar":14.012315792934347,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-333.96034736,"energy_per_atom":-3.3396034736,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.81034736,"band_gap":0.8743000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.197000Z","spacegroup":1},{"id":"mp-556280","created_at":"2022-09-04T14:46:23.643742Z","structure_string":"Zn20 S20\n1.0\n1.926846 -3.337394 0.000000\n1.926846 3.337394 0.000000\n0.000000 0.000000 62.987277\nZn S\n20 20\ndirect\n0.333333 0.666667 0.650014 Zn\n0.333333 0.666667 0.050003 Zn\n0.000000 0.000000 0.599999 Zn\n0.666667 0.333333 0.800014 Zn\n0.000000 0.000000 0.299999 Zn\n0.666667 0.333333 0.950000 Zn\n0.666667 0.333333 0.500003 Zn\n0.666667 0.333333 0.350014 Zn\n0.666667 0.333333 0.100003 Zn\n0.000000 0.000000 0.899998 Zn\n0.333333 0.666667 0.549998 Zn\n0.000000 0.000000 0.000014 Zn\n0.000000 0.000000 0.450003 Zn\n0.333333 0.666667 0.400003 Zn\n0.000000 0.000000 0.150003 Zn\n0.333333 0.666667 0.850003 Zn\n0.333333 0.666667 0.200003 Zn\n0.666667 0.333333 0.699998 Zn\n0.000000 0.000000 0.750000 Zn\n0.666667 0.333333 0.249998 Zn\n0.000000 0.000000 0.337528 S\n0.333333 0.666667 0.687495 S\n0.666667 0.333333 0.837495 S\n0.666667 0.333333 0.287467 S\n0.333333 0.666667 0.237497 S\n0.000000 0.000000 0.037495 S\n0.666667 0.333333 0.387495 S\n0.333333 0.666667 0.087496 S\n0.333333 0.666667 0.887496 S\n0.666667 0.333333 0.987528 S\n0.000000 0.000000 0.487497 S\n0.666667 0.333333 0.737466 S\n0.666667 0.333333 0.537497 S\n0.000000 0.000000 0.787528 S\n0.000000 0.000000 0.637528 S\n0.333333 0.666667 0.587466 S\n0.666667 0.333333 0.137496 S\n0.000000 0.000000 0.937467 S\n0.333333 0.666667 0.437496 S\n0.000000 0.000000 0.187497 S\n","nsites":40,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.996046796405832,"density_atomic":0.049376769804910535,"volume":810.0975450204924,"volume_molar":12.196303613609606,"formula_full":"Zn20 S20","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-150.41164902,"energy_per_atom":-3.7602912255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.35164902,"band_gap":2.0238000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.48e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:35.573000Z","spacegroup":156},{"id":"mp-581425","created_at":"2022-09-04T14:39:13.150124Z","structure_string":"Zn36 S36\n1.0\n1.926727 -3.337190 0.000000\n1.926727 3.337190 0.000000\n0.000000 0.000000 113.266719\nZn S\n36 36\ndirect\n0.000000 0.000000 0.166667 Zn\n0.333333 0.666667 0.111110 Zn\n0.333333 0.666667 0.916676 Zn\n0.666667 0.333333 0.555557 Zn\n0.000000 0.000000 0.416667 Zn\n0.333333 0.666667 0.361111 Zn\n0.666667 0.333333 0.138888 Zn\n0.666667 0.333333 0.972221 Zn\n0.666667 0.333333 0.722231 Zn\n0.000000 0.000000 0.944439 Zn\n0.000000 0.000000 0.833334 Zn\n0.666667 0.333333 0.305557 Zn\n0.333333 0.666667 0.277779 Zn\n0.666667 0.333333 0.805557 Zn\n0.333333 0.666667 0.027778 Zn\n0.333333 0.666667 0.611109 Zn\n0.666667 0.333333 0.888886 Zn\n0.000000 0.000000 0.583329 Zn\n0.333333 0.666667 0.194444 Zn\n0.333333 0.666667 0.694442 Zn\n0.666667 0.333333 0.222222 Zn\n0.666667 0.333333 0.055557 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.444444 Zn\n0.333333 0.666667 0.861106 Zn\n0.000000 0.000000 0.083333 Zn\n0.666667 0.333333 0.388888 Zn\n0.666667 0.333333 0.472222 Zn\n0.333333 0.666667 0.527779 Zn\n0.000000 0.000000 0.333333 Zn\n0.333333 0.666667 0.777779 Zn\n0.000000 0.000000 0.000008 Zn\n0.666667 0.333333 0.666662 Zn\n0.000000 0.000000 0.638896 Zn\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.250000 Zn\n0.333333 0.666667 0.881925 S\n0.333333 0.666667 0.631962 S\n0.000000 0.000000 0.270833 S\n0.333333 0.666667 0.798612 S\n0.666667 0.333333 0.076389 S\n0.000000 0.000000 0.104166 S\n0.333333 0.666667 0.465277 S\n0.000000 0.000000 0.965259 S\n0.333333 0.666667 0.215277 S\n0.333333 0.666667 0.131943 S\n0.666667 0.333333 0.993074 S\n0.000000 0.000000 0.520833 S\n0.000000 0.000000 0.770833 S\n0.000000 0.000000 0.604148 S\n0.666667 0.333333 0.243056 S\n0.666667 0.333333 0.743056 S\n0.666667 0.333333 0.687481 S\n0.666667 0.333333 0.326389 S\n0.333333 0.666667 0.048611 S\n0.000000 0.000000 0.854165 S\n0.666667 0.333333 0.909740 S\n0.000000 0.000000 0.437500 S\n0.333333 0.666667 0.548612 S\n0.666667 0.333333 0.493056 S\n0.666667 0.333333 0.826390 S\n0.666667 0.333333 0.159721 S\n0.333333 0.666667 0.715296 S\n0.000000 0.000000 0.659721 S\n0.333333 0.666667 0.381943 S\n0.666667 0.333333 0.409721 S\n0.000000 0.000000 0.187500 S\n0.666667 0.333333 0.576389 S\n0.000000 0.000000 0.354166 S\n0.000000 0.000000 0.020833 S\n0.333333 0.666667 0.937499 S\n0.333333 0.666667 0.298612 S\n","nsites":72,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":4.000432561751981,"density_atomic":0.049430962094677997,"volume":1456.5769499305761,"volume_molar":12.182932528129722,"formula_full":"Zn36 S36","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-270.76024481,"energy_per_atom":-3.7605589556944445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-252.65224481,"band_gap":2.0194,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0084977,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.990000Z","spacegroup":156},{"id":"mp-557026","created_at":"2022-09-04T14:40:24.169023Z","structure_string":"Zn18 S18\n1.0\n1.927009 -3.337678 0.000000\n1.927009 3.337678 0.000000\n0.000000 0.000000 56.689739\nZn S\n18 18\ndirect\n0.000000 0.000000 0.166667 Zn\n0.000000 0.000000 0.555549 Zn\n0.333333 0.666667 0.722217 Zn\n0.666667 0.333333 0.277777 Zn\n0.000000 0.000000 0.666679 Zn\n0.333333 0.666667 0.055561 Zn\n0.666667 0.333333 0.611106 Zn\n0.666667 0.333333 0.111112 Zn\n0.666667 0.333333 0.444444 Zn\n0.333333 0.666667 0.222223 Zn\n0.666667 0.333333 0.777776 Zn\n0.666667 0.333333 0.944439 Zn\n0.333333 0.666667 0.388894 Zn\n0.000000 0.000000 0.333332 Zn\n0.333333 0.666667 0.833345 Zn\n0.000000 0.000000 0.000013 Zn\n0.333333 0.666667 0.500013 Zn\n0.000000 0.000000 0.888886 Zn\n0.666667 0.333333 0.986143 S\n0.333333 0.666667 0.541664 S\n0.333333 0.666667 0.430536 S\n0.000000 0.000000 0.041669 S\n0.666667 0.333333 0.486145 S\n0.666667 0.333333 0.652811 S\n0.666667 0.333333 0.152779 S\n0.333333 0.666667 0.763855 S\n0.000000 0.000000 0.708329 S\n0.666667 0.333333 0.819479 S\n0.000000 0.000000 0.375002 S\n0.000000 0.000000 0.930522 S\n0.000000 0.000000 0.597186 S\n0.333333 0.666667 0.263890 S\n0.333333 0.666667 0.874996 S\n0.333333 0.666667 0.097228 S\n0.666667 0.333333 0.319441 S\n0.000000 0.000000 0.208331 S\n","nsites":36,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9952849439122913,"density_atomic":0.0493673560474859,"volume":729.2268187377102,"volume_molar":12.198629301126378,"formula_full":"Zn18 S18","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-135.36829957,"energy_per_atom":-3.760230543611111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.31429957,"band_gap":2.023,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.68e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.232000Z","spacegroup":156},{"id":"mp-554253","created_at":"2022-09-04T14:40:39.826745Z","structure_string":"Zn26 S26\n1.0\n1.926505 -3.336805 0.000000\n1.926505 3.336805 0.000000\n0.000000 0.000000 81.866875\nZn S\n26 26\ndirect\n0.333333 0.666667 0.153826 Zn\n0.000000 0.000000 0.115387 Zn\n0.666667 0.333333 0.653836 Zn\n0.000000 0.000000 0.230782 Zn\n0.000000 0.000000 0.307702 Zn\n0.666667 0.333333 0.192319 Zn\n0.333333 0.666667 0.269224 Zn\n0.666667 0.333333 0.346166 Zn\n0.333333 0.666667 0.384621 Zn\n0.666667 0.333333 0.923088 Zn\n0.666667 0.333333 0.807692 Zn\n0.666667 0.333333 0.576918 Zn\n0.333333 0.666667 0.730785 Zn\n0.000000 0.000000 0.999990 Zn\n0.333333 0.666667 0.961520 Zn\n0.333333 0.666667 0.615385 Zn\n0.000000 0.000000 0.884623 Zn\n0.333333 0.666667 0.846171 Zn\n0.333333 0.666667 0.038480 Zn\n0.000000 0.000000 0.769236 Zn\n0.000000 0.000000 0.538479 Zn\n0.666667 0.333333 0.423097 Zn\n0.666667 0.333333 0.076924 Zn\n0.000000 0.000000 0.461519 Zn\n0.000000 0.000000 0.692314 Zn\n0.333333 0.666667 0.499990 Zn\n0.000000 0.000000 0.913471 S\n0.666667 0.333333 0.221170 S\n0.666667 0.333333 0.682680 S\n0.666667 0.333333 0.105771 S\n0.000000 0.000000 0.490348 S\n0.333333 0.666667 0.990348 S\n0.000000 0.000000 0.721145 S\n0.333333 0.666667 0.644241 S\n0.333333 0.666667 0.528861 S\n0.000000 0.000000 0.567303 S\n0.333333 0.666667 0.182682 S\n0.666667 0.333333 0.451913 S\n0.333333 0.666667 0.413493 S\n0.666667 0.333333 0.951913 S\n0.000000 0.000000 0.259592 S\n0.333333 0.666667 0.067306 S\n0.666667 0.333333 0.605748 S\n0.000000 0.000000 0.336534 S\n0.333333 0.666667 0.759639 S\n0.000000 0.000000 0.028861 S\n0.333333 0.666667 0.298092 S\n0.333333 0.666667 0.875009 S\n0.666667 0.333333 0.836534 S\n0.666667 0.333333 0.374987 S\n0.000000 0.000000 0.798069 S\n0.000000 0.000000 0.144216 S\n","nsites":52,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.998269436435524,"density_atomic":0.04940423364372343,"volume":1052.541374793825,"volume_molar":12.18952368217756,"formula_full":"Zn26 S26","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-195.53343951,"energy_per_atom":-3.7602584521153846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.45543951,"band_gap":2.0623,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.65e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.497000Z","spacegroup":156}]}