{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=50","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=48","results":[{"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-555079","created_at":"2022-09-04T14:45:26.224146Z","structure_string":"Zn28 S28\n1.0\n1.926622 -3.337006 0.000000\n1.926622 3.337006 0.000000\n0.000000 0.000000 88.135585\nZn S\n28 28\ndirect\n0.000000 0.000000 0.071431 Zn\n0.333333 0.666667 0.928577 Zn\n0.333333 0.666667 0.321431 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 0.392861 Zn\n0.666667 0.333333 0.464291 Zn\n0.333333 0.666667 0.642861 Zn\n0.666667 0.333333 0.571431 Zn\n0.666667 0.333333 0.785715 Zn\n0.333333 0.666667 0.535714 Zn\n0.000000 0.000000 0.964288 Zn\n0.666667 0.333333 0.892858 Zn\n0.000000 0.000000 0.285715 Zn\n0.000000 0.000000 0.607143 Zn\n0.666667 0.333333 0.678573 Zn\n0.000000 0.000000 0.714291 Zn\n0.000000 0.000000 0.821470 Zn\n0.333333 0.666667 0.107143 Zn\n0.666667 0.333333 0.035715 Zn\n0.000000 0.000000 0.178573 Zn\n0.333333 0.666667 0.000007 Zn\n0.000000 0.000000 0.500003 Zn\n0.333333 0.666667 0.857143 Zn\n0.333333 0.666667 0.428573 Zn\n0.666667 0.333333 0.250003 Zn\n0.333333 0.666667 0.750003 Zn\n0.000000 0.000000 0.205356 S\n0.333333 0.666667 0.348209 S\n0.666667 0.333333 0.812505 S\n0.666667 0.333333 0.705357 S\n0.333333 0.666667 0.455356 S\n0.000000 0.000000 0.633926 S\n0.333333 0.666667 0.026784 S\n0.000000 0.000000 0.848221 S\n0.000000 0.000000 0.419639 S\n0.000000 0.000000 0.526786 S\n0.000000 0.000000 0.098208 S\n0.333333 0.666667 0.133927 S\n0.000000 0.000000 0.312497 S\n0.666667 0.333333 0.169640 S\n0.333333 0.666667 0.669639 S\n0.333333 0.666667 0.776785 S\n0.666667 0.333333 0.598208 S\n0.333333 0.666667 0.883912 S\n0.333333 0.666667 0.241069 S\n0.333333 0.666667 0.955341 S\n0.000000 0.000000 0.991084 S\n0.666667 0.333333 0.919654 S\n0.000000 0.000000 0.741069 S\n0.666667 0.333333 0.383927 S\n0.666667 0.333333 0.276786 S\n0.666667 0.333333 0.062497 S\n0.666667 0.333333 0.491069 S\n0.333333 0.666667 0.562497 S\n","nsites":56,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9990895328252387,"density_atomic":0.04941436708627701,"volume":1133.273646958273,"volume_molar":12.187023967109402,"formula_full":"Zn28 S28","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-210.5964521,"energy_per_atom":-3.760650930357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.5124521,"band_gap":2.0188,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.85e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:57.350000Z","spacegroup":156},{"id":"mp-1244936","created_at":"2022-09-04T14:48:22.708237Z","structure_string":"Zn50 S50\n1.0\n13.744340 0.355981 -0.419891\n0.359045 13.519454 -0.155186\n-0.427064 -0.182685 12.717733\nZn S\n50 50\ndirect\n0.225868 0.889402 0.603032 Zn\n0.417035 0.569881 0.520775 Zn\n0.888567 0.036955 0.885777 Zn\n0.647683 0.478359 0.340298 Zn\n0.258513 0.725443 0.505399 Zn\n0.467205 0.012683 0.377304 Zn\n0.810646 0.663814 0.316375 Zn\n0.259593 0.116610 0.236263 Zn\n0.634500 0.487929 0.998266 Zn\n0.790339 0.847570 0.105256 Zn\n0.825563 0.400004 0.735143 Zn\n0.536914 0.880343 0.881481 Zn\n0.120010 0.063435 0.469300 Zn\n0.724201 0.156485 0.740842 Zn\n0.618809 0.044459 0.512427 Zn\n0.584031 0.758345 0.089303 Zn\n0.094350 0.877642 0.787884 Zn\n0.949025 0.031675 0.649513 Zn\n0.326634 0.184929 0.937059 Zn\n0.204936 0.499305 0.060649 Zn\n0.343660 0.012616 0.861185 Zn\n0.183241 0.076771 0.941568 Zn\n0.635076 0.283459 0.610245 Zn\n0.373196 0.765699 0.668266 Zn\n0.520762 0.413940 0.523756 Zn\n0.073171 0.659729 0.889409 Zn\n0.476869 0.267778 0.888213 Zn\n0.830225 0.335636 0.230377 Zn\n0.889496 0.212231 0.638786 Zn\n0.328004 0.289023 0.770323 Zn\n0.735571 0.598982 0.573301 Zn\n0.572813 0.947549 0.653504 Zn\n0.846596 0.140355 0.161316 Zn\n0.503726 0.235159 0.229092 Zn\n0.572576 0.447275 0.722577 Zn\n0.387479 0.697834 0.994208 Zn\n0.696223 0.157708 0.344705 Zn\n0.337502 0.399506 0.528222 Zn\n0.306787 0.545588 0.788839 Zn\n0.891183 0.120243 0.468925 Zn\n0.743013 0.649112 0.890021 Zn\n0.617538 0.911515 0.349180 Zn\n0.427443 0.509686 0.189508 Zn\n0.988222 0.609318 0.502576 Zn\n0.147105 0.511413 0.357695 Zn\n0.065167 0.327057 0.188491 Zn\n0.035193 0.952610 0.097247 Zn\n0.922196 0.456010 0.018610 Zn\n0.087420 0.403510 0.616310 Zn\n0.544883 0.134356 0.684487 Zn\n0.442289 0.851769 0.022755 S\n0.607591 0.359503 0.884350 S\n0.217617 0.987991 0.346762 S\n0.855608 0.243920 0.815725 S\n0.266852 0.377041 0.352666 S\n0.131650 0.082902 0.106827 S\n0.045824 0.790256 0.179655 S\n0.783947 0.555393 0.034933 S\n0.799519 -0.005283 0.735150 S\n0.979939 0.473219 0.737461 S\n0.027226 0.787299 0.012703 S\n0.535328 0.805137 0.716029 S\n0.047375 0.039621 0.828946 S\n0.521239 0.598621 0.069759 S\n0.840565 0.694107 0.498374 S\n0.927006 0.296918 0.085062 S\n0.502389 0.064553 0.853817 S\n0.037375 0.487883 0.894526 S\n0.441962 0.591089 0.715879 S\n0.352074 0.418233 0.036214 S\n0.377495 0.686374 0.385163 S\n0.720558 0.546537 0.743452 S\n0.328396 0.973573 0.468025 S\n0.904349 0.786157 0.231856 S\n0.424852 0.087031 0.217971 S\n0.061664 0.932594 0.552366 S\n0.309155 0.617295 0.254212 S\n0.563655 0.199923 0.445950 S\n0.800042 0.489576 0.301778 S\n0.023691 0.738534 0.743116 S\n0.694371 0.803240 0.953953 S\n0.244812 0.419396 0.685392 S\n0.260571 0.153560 0.664978 S\n0.930656 0.190211 0.317563 S\n0.144798 0.207390 0.571992 S\n0.174727 0.259678 0.312472 S\n0.592342 0.572820 0.478840 S\n0.681549 0.788231 0.242700 S\n0.786123 0.337253 0.562324 S\n0.271651 0.877709 0.787316 S\n0.364301 0.273869 0.091929 S\n0.119668 0.670716 0.425868 S\n0.078194 0.497455 0.161657 S\n0.248376 0.621248 0.936929 S\n0.692818 0.225364 0.183769 S\n0.762491 0.013830 0.421349 S\n0.511538 0.395357 0.295851 S\n0.018878 0.443170 0.458218 S\n0.391255 0.209090 0.605388 S\n0.868084 0.999569 0.060654 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4310130417864126,"density_atomic":0.04239498429155241,"volume":2358.769596712079,"volume_molar":14.204842531808573,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-331.82151107,"energy_per_atom":-3.3182151106999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.67151107,"band_gap":1.2384,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:02.313000Z","spacegroup":1},{"id":"mp-557308","created_at":"2022-09-04T14:41:58.798790Z","structure_string":"Zn10 S10\n1.0\n1.926544 -3.336873 0.000000\n1.926544 3.336873 0.000000\n0.000000 0.000000 31.512556\nZn S\n10 10\ndirect\n0.000000 0.000000 0.600027 Zn\n0.666667 0.333333 0.200027 Zn\n0.666667 0.333333 0.800020 Zn\n0.333333 0.666667 0.700027 Zn\n0.000000 0.000000 0.300027 Zn\n0.000000 0.000000 0.000019 Zn\n0.333333 0.666667 0.900039 Zn\n0.666667 0.333333 0.500027 Zn\n0.333333 0.666667 0.100039 Zn\n0.333333 0.666667 0.400027 Zn\n0.000000 0.000000 0.075005 S\n0.000000 0.000000 0.674974 S\n0.333333 0.666667 0.974936 S\n0.333333 0.666667 0.474973 S\n0.666667 0.333333 0.574972 S\n0.333333 0.666667 0.774941 S\n0.666667 0.333333 0.274973 S\n0.333333 0.666667 0.174968 S\n0.000000 0.000000 0.374973 S\n0.666667 0.333333 0.875006 S\n","nsites":20,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9948975810813177,"density_atomic":0.049362569635736875,"volume":405.16529320873644,"volume_molar":12.199812133848415,"formula_full":"Zn10 S10","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-75.20938858,"energy_per_atom":-3.7604694289999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.17938858,"band_gap":2.0245,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0041618,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.352000Z","spacegroup":156},{"id":"mp-1245194","created_at":"2022-09-04T14:44:21.224689Z","structure_string":"Zn50 S50\n1.0\n13.020097 0.521879 0.184124\n0.540779 13.474172 0.827948\n0.194326 0.787727 14.477898\nZn S\n50 50\ndirect\n0.558033 0.950972 0.376042 Zn\n0.147438 0.609715 0.625182 Zn\n0.385402 0.667296 0.470216 Zn\n0.923926 0.321682 0.278158 Zn\n0.355363 0.558668 0.933087 Zn\n0.244490 0.002641 0.687648 Zn\n0.739380 0.095714 0.237642 Zn\n0.653730 0.532521 0.448436 Zn\n0.081655 0.413246 0.802080 Zn\n0.392276 0.225967 0.528452 Zn\n0.027492 0.889591 0.235179 Zn\n0.136491 0.004252 0.276991 Zn\n0.323955 0.841516 0.013258 Zn\n0.865940 -0.000458 0.019101 Zn\n0.032901 0.262407 0.041631 Zn\n0.188971 0.719009 0.010638 Zn\n0.074483 0.158439 0.752696 Zn\n0.621174 0.358498 0.193451 Zn\n0.877804 0.298734 0.805644 Zn\n0.512711 0.002445 0.602055 Zn\n0.642284 0.772113 0.487364 Zn\n0.397187 0.450875 0.345817 Zn\n0.611088 0.606229 0.926252 Zn\n0.373660 0.987275 0.891108 Zn\n0.648195 0.049457 0.775164 Zn\n0.651865 0.301031 0.409986 Zn\n0.788720 0.589266 0.168072 Zn\n0.976033 0.050563 0.871642 Zn\n0.862171 0.627778 0.570817 Zn\n0.887123 0.109313 0.718217 Zn\n0.232187 0.034719 0.438343 Zn\n0.571418 0.758732 0.055652 Zn\n0.999285 0.829230 0.720533 Zn\n0.197692 0.236981 0.285128 Zn\n0.443498 0.741869 0.252852 Zn\n0.209334 0.538343 0.110831 Zn\n0.495708 0.426439 0.083639 Zn\n0.107270 0.794913 0.470353 Zn\n0.837633 0.912220 0.882848 Zn\n0.665706 0.258961 0.623961 Zn\n0.159259 0.401885 0.530606 Zn\n0.194479 0.118218 0.937265 Zn\n0.192127 0.894210 0.900035 Zn\n0.942300 0.592815 0.362668 Zn\n0.175362 0.641538 0.237538 Zn\n0.703749 0.879212 0.197318 Zn\n0.848431 0.418909 0.952037 Zn\n0.338211 0.253003 0.921130 Zn\n0.913672 0.358378 0.521444 Zn\n0.810889 0.696669 0.922721 Zn\n0.184723 0.569551 0.943182 S\n0.568987 0.188867 0.522021 S\n0.241901 0.139282 0.769844 S\n-0.002150 0.720074 0.606318 S\n0.728526 0.604718 0.682559 S\n0.286531 0.078404 0.289295 S\n0.483304 0.031338 0.757069 S\n0.644320 0.939720 0.512126 S\n0.955735 0.772610 0.881333 S\n0.727793 0.195637 0.764741 S\n0.316076 0.389265 0.111952 S\n0.973075 0.240077 0.426130 S\n0.171161 0.864197 0.750254 S\n0.593449 0.669090 0.625074 S\n0.579319 0.451278 0.331274 S\n0.084413 -0.000079 0.994049 S\n0.919666 0.498913 0.241565 S\n0.602640 0.492930 0.821680 S\n0.151633 0.301454 0.927100 S\n0.738178 0.378783 0.524695 S\n0.129576 0.259491 0.441299 S\n0.770639 0.550131 0.016593 S\n0.519092 0.562348 0.557036 S\n0.963338 0.261616 0.665726 S\n0.192181 0.450154 0.682963 S\n0.909937 0.467190 0.805996 S\n0.357473 0.104183 0.004293 S\n0.592762 0.015124 0.229476 S\n0.049389 0.725852 0.326884 S\n0.852451 0.967197 0.177857 S\n0.769752 0.658880 0.429408 S\n0.670164 0.718620 0.191064 S\n0.339744 0.058970 0.555744 S\n0.477975 0.429739 0.895529 S\n0.339056 0.620823 0.320698 S\n0.079117 0.966916 0.450346 S\n0.472623 0.604597 0.033748 S\n0.251273 0.725555 0.554675 S\n-0.003276 0.502856 0.503263 S\n0.337264 0.386738 0.493576 S\n0.646433 0.777696 0.909229 S\n0.753321 0.911568 0.741086 S\n0.753121 0.251825 0.275905 S\n0.439779 0.853508 0.122257 S\n0.432739 0.332172 0.808601 S\n0.340553 0.334550 0.251129 S\n0.875090 0.246279 0.972012 S\n0.874912 0.962338 0.652817 S\n0.490421 0.796079 0.391645 S\n0.048732 0.233287 0.195686 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.2025577079918195,"density_atomic":0.039572097823449594,"volume":2527.033073812481,"volume_molar":15.218148875674228,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-336.14580275,"energy_per_atom":-3.3614580275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.99580275,"band_gap":1.2368,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:25.910000Z","spacegroup":1},{"id":"mp-1245082","created_at":"2022-09-04T14:45:36.517396Z","structure_string":"Zn50 S50\n1.0\n13.359083 0.089887 -0.229538\n0.092171 13.974025 -1.188842\n-0.203894 -1.128437 12.999354\nZn S\n50 50\ndirect\n0.424873 0.707680 0.850905 Zn\n0.199783 0.082155 0.740201 Zn\n0.508225 0.447251 0.884043 Zn\n0.279962 0.198165 0.535978 Zn\n0.070076 0.975469 0.117025 Zn\n0.805134 0.490191 0.530760 Zn\n0.081634 0.199725 0.835308 Zn\n0.576028 0.807938 0.834462 Zn\n0.925850 0.401803 0.889484 Zn\n0.249820 0.285222 0.825749 Zn\n0.656949 0.143784 0.078146 Zn\n0.900158 0.863338 0.090495 Zn\n0.345422 0.706646 0.545524 Zn\n0.196261 0.930998 0.457738 Zn\n0.936815 0.772947 0.582310 Zn\n0.721597 0.164023 0.841977 Zn\n0.481285 0.290650 0.502384 Zn\n0.861340 0.110454 0.270070 Zn\n0.532934 0.879206 0.056920 Zn\n0.084549 0.314146 0.711101 Zn\n0.370232 0.875807 0.647901 Zn\n0.502203 0.873933 0.362494 Zn\n0.919927 0.223479 0.698567 Zn\n0.730530 0.906945 0.681701 Zn\n0.390627 0.093165 0.325183 Zn\n0.412423 0.906088 0.908074 Zn\n0.135342 0.888364 0.961713 Zn\n0.534450 0.615317 0.716784 Zn\n0.545365 0.091896 0.557232 Zn\n0.806588 0.932247 0.957889 Zn\n0.600765 0.495128 0.146173 Zn\n0.010847 0.618785 0.822104 Zn\n0.496529 0.107875 0.789490 Zn\n0.919978 0.169183 0.059917 Zn\n0.299788 0.957588 0.235349 Zn\n0.023493 0.031951 0.823507 Zn\n0.815251 0.376199 0.287786 Zn\n0.741887 0.429178 0.702077 Zn\n0.234802 0.486755 0.601086 Zn\n0.730855 0.554905 0.954189 Zn\n0.131210 0.627886 0.516969 Zn\n0.760422 0.313190 0.531924 Zn\n0.224802 0.497861 0.976704 Zn\n0.744210 0.768763 0.470637 Zn\n0.094425 0.363797 0.122591 Zn\n0.565343 0.615446 0.364415 Zn\n0.118208 0.492633 0.261155 Zn\n0.414456 0.667735 0.144718 Zn\n0.131370 0.755375 0.316343 Zn\n0.254158 0.758145 0.722064 Zn\n0.527122 0.690984 0.571283 S\n0.017429 0.123093 0.191733 S\n0.432614 0.834021 0.183828 S\n0.973223 0.602420 0.134860 S\n0.238406 0.644010 0.094150 S\n0.347686 0.249124 0.391613 S\n0.782567 0.230382 0.174593 S\n0.485738 0.619805 0.979036 S\n0.461914 0.541981 0.232863 S\n0.963354 0.774899 0.768477 S\n0.642602 0.056762 0.697321 S\n0.816185 0.158332 0.553072 S\n0.617416 0.340885 0.414079 S\n0.280527 0.792248 0.910035 S\n0.153797 0.616952 0.698075 S\n0.835057 0.901621 0.548002 S\n0.138732 0.905752 0.276412 S\n0.940236 0.416421 0.418763 S\n0.547530 0.834678 0.639731 S\n0.771622 0.964998 0.232745 S\n0.794222 0.302449 0.804410 S\n0.740358 0.827033 0.820574 S\n0.863308 0.070990 0.903090 S\n0.854695 0.506232 0.108622 S\n0.645975 0.422545 0.988932 S\n0.172239 0.076430 0.563854 S\n0.546061 0.037071 0.388030 S\n0.006695 0.546033 0.390178 S\n0.562625 0.457034 0.717903 S\n0.634516 0.491294 0.457568 S\n0.576652 0.189600 0.941588 S\n0.843709 0.537638 0.823990 S\n0.631563 0.757604 0.339289 S\n0.290225 0.557568 0.467469 S\n0.088198 0.783087 0.490136 S\n0.006030 0.283209 0.984636 S\n0.760763 0.523090 0.239531 S\n0.175579 0.338150 0.578992 S\n0.899406 0.201242 0.434324 S\n0.958336 0.700857 0.035635 S\n0.223713 0.622136 0.249681 S\n0.357097 0.009600 0.787941 S\n0.352984 0.849551 0.459156 S\n0.680539 0.982357 0.102718 S\n0.814835 0.654455 0.559766 S\n0.439350 0.209804 0.644887 S\n0.084192 0.471043 0.865081 S\n0.082172 0.871145 0.778705 S\n0.352630 0.390480 0.930450 S\n0.621111 0.692113 0.990843 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.360750690787165,"density_atomic":0.04152679427576929,"volume":2408.0837864807104,"volume_molar":14.501819524060622,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-328.78809677,"energy_per_atom":-3.2878809676999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-303.63809677,"band_gap":0.8844000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:12.471000Z","spacegroup":1},{"id":"mp-13456","created_at":"2022-09-04T14:48:26.619098Z","structure_string":"Zn5 S5\n1.0\n15.793380 -1.926423 0.000000\n15.793380 1.926423 0.000000\n15.558401 0.000000 3.328378\nZn S\n5 5\ndirect\n0.733321 0.733321 0.733321 Zn\n0.133316 0.133316 0.133316 Zn\n0.533327 0.533327 0.533327 Zn\n0.266680 0.266680 0.266680 Zn\n0.999957 0.999957 0.999957 Zn\n0.683288 0.683288 0.683288 S\n0.083393 0.083393 0.083393 S\n0.483299 0.483299 0.483299 S\n0.216735 0.216735 0.216735 S\n0.950011 0.950011 0.950011 S\n","nsites":10,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.995935892166152,"density_atomic":0.049375399427286824,"volume":202.53000716939212,"volume_molar":12.196642112978886,"formula_full":"Zn5 S5","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-37.48806338,"energy_per_atom":-3.748806338,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.97306338,"band_gap":2.0416,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0051471,"is_theoretical":true,"updated_at":"2021-11-28T01:39:31.335000Z","spacegroup":160},{"id":"mp-1202023","created_at":"2022-09-04T14:40:09.148902Z","structure_string":"Zn18 S18\n1.0\n-1.937010 -3.355000 0.000000\n1.937010 -3.355000 0.000000\n0.000000 -2.236666 56.345196\nZn S\n18 18\ndirect\n0.999996 0.999996 0.000012 Zn\n0.944439 0.944439 0.166683 Zn\n0.888885 0.888885 0.333344 Zn\n0.833328 0.833328 0.500016 Zn\n0.759259 0.759259 0.722224 Zn\n0.722213 0.722213 0.833362 Zn\n0.648152 0.648152 0.055544 Zn\n0.592583 0.592583 0.222251 Zn\n0.518519 0.518519 0.444444 Zn\n0.462957 0.462957 0.611128 Zn\n0.407408 0.407408 0.777777 Zn\n0.351852 0.351852 0.944444 Zn\n0.296299 0.296299 0.111102 Zn\n0.240736 0.240736 0.277791 Zn\n0.203695 0.203695 0.388916 Zn\n0.148145 0.148145 0.555565 Zn\n0.111100 0.111100 0.666700 Zn\n0.037039 0.037039 0.888884 Zn\n0.986117 0.986117 0.041649 S\n0.930565 0.930565 0.208305 S\n0.874993 0.874993 0.375020 S\n0.819458 0.819458 0.541627 S\n0.745399 0.745399 0.763804 S\n0.708345 0.708345 0.874965 S\n0.634269 0.634269 0.097192 S\n0.578716 0.578716 0.263851 S\n0.504641 0.504641 0.486076 S\n0.449072 0.449072 0.652784 S\n0.393518 0.393518 0.819446 S\n0.337959 0.337959 0.986124 S\n0.282419 0.282419 0.152743 S\n0.226878 0.226878 0.319365 S\n0.189818 0.189818 0.430545 S\n0.134289 0.134289 0.597132 S\n0.097232 0.097232 0.708303 S\n0.023176 0.023176 0.930473 S\n","nsites":36,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.978314512404247,"density_atomic":0.04915766253468311,"volume":732.3375063775716,"volume_molar":12.250665408980927,"formula_full":"Zn18 S18","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-134.96344652,"energy_per_atom":-3.7489846255555554,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.90944652000002,"band_gap":2.0011,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.43e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.518000Z","spacegroup":160},{"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-581405","created_at":"2022-09-04T14:45:37.199353Z","structure_string":"Zn40 S40\n1.0\n1.926635 -3.337029 0.000000\n1.926635 3.337029 0.000000\n0.000000 0.000000 125.910185\nZn S\n40 40\ndirect\n0.000000 0.000000 0.275004 Zn\n0.000000 0.000000 0.825004 Zn\n0.666667 0.333333 0.450000 Zn\n0.333333 0.666667 0.324999 Zn\n0.333333 0.666667 0.174999 Zn\n0.333333 0.666667 0.100000 Zn\n0.000000 0.000000 0.425000 Zn\n0.000000 0.000000 0.950002 Zn\n0.666667 0.333333 0.200001 Zn\n0.666667 0.333333 0.524997 Zn\n0.333333 0.666667 0.924999 Zn\n0.333333 0.666667 0.475001 Zn\n0.000000 0.000000 0.149999 Zn\n0.666667 0.333333 0.974996 Zn\n0.333333 0.666667 0.574997 Zn\n0.000000 0.000000 0.550004 Zn\n0.000000 0.000000 0.699997 Zn\n0.666667 0.333333 0.725005 Zn\n0.666667 0.333333 0.375000 Zn\n0.666667 0.333333 0.049999 Zn\n0.666667 0.333333 0.799997 Zn\n0.000000 0.000000 0.224997 Zn\n0.333333 0.666667 0.399999 Zn\n0.666667 0.333333 0.299998 Zn\n0.000000 0.000000 0.000004 Zn\n0.000000 0.000000 0.774997 Zn\n0.666667 0.333333 0.875001 Zn\n0.333333 0.666667 0.024998 Zn\n0.000000 0.000000 0.899998 Zn\n0.000000 0.000000 0.074999 Zn\n0.666667 0.333333 0.599999 Zn\n0.333333 0.666667 0.849998 Zn\n0.333333 0.666667 0.750000 Zn\n0.000000 0.000000 0.499997 Zn\n0.000000 0.000000 0.350000 Zn\n0.666667 0.333333 0.124999 Zn\n0.333333 0.666667 0.650001 Zn\n0.666667 0.333333 0.674997 Zn\n0.333333 0.666667 0.249997 Zn\n0.000000 0.000000 0.624999 Zn\n0.333333 0.666667 0.768752 S\n0.000000 0.000000 0.968733 S\n0.333333 0.666667 0.593750 S\n0.333333 0.666667 0.493753 S\n0.666667 0.333333 0.743749 S\n0.333333 0.666667 0.043750 S\n0.000000 0.000000 0.918736 S\n0.666667 0.333333 0.218753 S\n0.000000 0.000000 0.518735 S\n0.666667 0.333333 0.818766 S\n0.000000 0.000000 0.843749 S\n0.333333 0.666667 0.118751 S\n0.333333 0.666667 0.668753 S\n0.666667 0.333333 0.468752 S\n0.000000 0.000000 0.568747 S\n0.666667 0.333333 0.618750 S\n0.333333 0.666667 0.193751 S\n0.000000 0.000000 0.293749 S\n0.666667 0.333333 0.143751 S\n0.000000 0.000000 0.168751 S\n0.000000 0.000000 0.443751 S\n0.000000 0.000000 0.368751 S\n0.666667 0.333333 0.318750 S\n0.000000 0.000000 0.018749 S\n0.666667 0.333333 0.393751 S\n0.333333 0.666667 0.418751 S\n0.666667 0.333333 0.893753 S\n0.000000 0.000000 0.093751 S\n0.666667 0.333333 0.693735 S\n0.000000 0.000000 0.793735 S\n0.666667 0.333333 0.543766 S\n0.000000 0.000000 0.243735 S\n0.333333 0.666667 0.343751 S\n0.666667 0.333333 0.993765 S\n0.000000 0.000000 0.643751 S\n0.333333 0.666667 0.868751 S\n0.333333 0.666667 0.268766 S\n0.333333 0.666667 0.943767 S\n0.000000 0.000000 0.718766 S\n0.666667 0.333333 0.068751 S\n","nsites":80,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.998964907527228,"density_atomic":0.04941282716570919,"volume":1619.0128067700862,"volume_molar":12.187403768265177,"formula_full":"Zn40 S40","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-300.83707073,"energy_per_atom":-3.760463384125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-280.71707073,"band_gap":1.8885,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0075621,"is_theoretical":false,"updated_at":"2021-11-28T01:37:07.561000Z","spacegroup":156},{"id":"mp-1245300","created_at":"2022-09-04T14:45:55.907977Z","structure_string":"Zn50 S50\n1.0\n14.173540 -0.125180 -1.117208\n-0.175867 12.720297 -0.625824\n-1.084199 -0.656138 13.630654\nZn S\n50 50\ndirect\n0.764807 0.884174 0.145733 Zn\n0.500243 0.362760 0.471527 Zn\n0.389913 0.045494 0.535395 Zn\n0.993628 0.493445 0.989219 Zn\n0.218430 0.188847 0.558545 Zn\n0.857652 0.674510 0.922367 Zn\n0.749514 0.501559 0.060077 Zn\n0.123691 0.669455 0.446565 Zn\n0.915639 0.580096 0.501708 Zn\n0.186402 0.324559 0.009273 Zn\n0.341328 0.051378 0.276736 Zn\n0.250035 0.579452 0.101231 Zn\n0.570831 0.915019 0.277260 Zn\n0.896560 0.064747 0.211309 Zn\n0.990728 0.100853 0.772602 Zn\n0.381238 0.739145 0.545795 Zn\n0.175329 0.950609 0.722106 Zn\n0.511089 0.550416 0.709750 Zn\n0.875393 0.235808 0.017479 Zn\n0.773270 0.989197 0.946796 Zn\n0.991995 0.083408 0.478712 Zn\n0.897107 0.742716 0.344916 Zn\n0.308988 0.648258 0.905156 Zn\n0.550010 0.170215 0.960042 Zn\n0.557745 0.880030 0.965603 Zn\n0.902255 0.265847 0.537890 Zn\n0.701120 0.148805 0.169457 Zn\n0.025186 0.642462 0.194248 Zn\n0.246953 0.634475 0.715824 Zn\n0.800465 0.014799 0.624608 Zn\n0.089599 0.013335 0.007427 Zn\n0.784815 0.864993 0.717720 Zn\n0.793285 0.567168 0.695538 Zn\n0.408031 0.299111 0.160807 Zn\n0.271650 0.461743 0.543377 Zn\n0.452526 0.441383 0.956679 Zn\n0.533367 0.483149 0.318549 Zn\n0.186537 0.511348 0.827147 Zn\n0.342451 0.974988 0.729323 Zn\n0.733585 0.179209 0.771885 Zn\n0.031500 0.422144 0.613298 Zn\n0.185789 0.878681 0.077471 Zn\n0.033417 0.314789 0.435335 Zn\n0.985639 0.785303 0.650170 Zn\n0.147441 0.951945 0.327068 Zn\n0.676340 0.623432 0.170403 Zn\n0.488357 0.254770 0.717189 Zn\n0.565359 0.991084 0.751804 Zn\n0.239163 0.455773 0.315187 Zn\n0.569745 0.206138 0.302157 Zn\n0.287057 0.732550 0.049726 S\n0.867816 0.452795 0.595438 S\n0.998576 0.673721 0.026077 S\n0.669815 0.518009 0.772702 S\n0.475470 0.615491 0.920708 S\n0.846878 0.229742 0.179637 S\n0.470248 0.010313 0.883534 S\n0.820604 0.096567 0.469660 S\n0.852172 0.405252 0.974012 S\n0.701324 0.612273 0.910208 S\n0.192787 0.332927 0.421542 S\n0.402808 0.679984 0.702288 S\n0.537931 0.324275 0.880255 S\n0.722993 0.156649 0.933310 S\n0.751801 0.778537 0.259852 S\n0.326030 0.139549 0.129601 S\n0.141088 0.505864 0.179417 S\n0.566032 0.256218 0.133625 S\n0.990136 0.141312 0.941370 S\n0.437942 0.401046 0.610128 S\n0.280415 0.609175 0.448448 S\n0.089797 0.402801 0.891342 S\n0.449547 0.902489 0.603493 S\n0.092927 0.114265 0.623084 S\n0.184216 0.183440 0.097468 S\n0.866421 0.192010 0.692029 S\n0.336867 0.421109 0.052387 S\n0.595253 0.644664 0.322126 S\n0.187977 0.413843 0.670097 S\n0.394101 0.389072 0.317460 S\n0.108185 0.675127 0.615456 S\n0.905283 0.556851 0.268613 S\n0.264250 0.081638 0.424964 S\n0.502178 0.063083 0.353681 S\n0.057703 0.779367 0.330864 S\n0.350087 0.155462 0.676615 S\n0.262190 0.888133 0.242902 S\n0.537876 0.723817 0.039108 S\n0.867727 0.746796 0.510317 S\n0.598844 0.132871 0.663229 S\n0.623123 0.974700 0.126528 S\n0.875896 0.715858 0.762228 S\n0.883308 0.935624 0.069833 S\n0.031992 0.079924 0.326109 S\n0.006788 0.509712 0.385280 S\n0.756624 0.046544 0.323361 S\n0.671783 0.875269 0.832110 S\n0.030389 0.923687 0.770597 S\n0.494988 0.762254 0.312238 S\n0.632434 0.358725 0.400206 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.3225763400308295,"density_atomic":0.04105509656406009,"volume":2435.7511824132616,"volume_molar":14.668436476829099,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-335.85392366,"energy_per_atom":-3.3585392366000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-310.70392366,"band_gap":1.1409,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.723000Z","spacegroup":1},{"id":"mp-553916","created_at":"2022-09-04T14:42:29.141174Z","structure_string":"Zn24 S24\n1.0\n1.926458 -3.336724 0.000000\n1.926458 3.336724 0.000000\n0.000000 0.000000 75.590977\nZn S\n24 24\ndirect\n0.000000 0.000000 0.333353 Zn\n0.000000 0.000000 0.000006 Zn\n0.333333 0.666667 0.291677 Zn\n0.666667 0.333333 0.083341 Zn\n0.333333 0.666667 0.833342 Zn\n0.000000 0.000000 0.666675 Zn\n0.666667 0.333333 0.500007 Zn\n0.666667 0.333333 0.916680 Zn\n0.666667 0.333333 0.208342 Zn\n0.666667 0.333333 0.625010 Zn\n0.000000 0.000000 0.541689 Zn\n0.333333 0.666667 0.041690 Zn\n0.000000 0.000000 0.125009 Zn\n0.333333 0.666667 0.166680 Zn\n0.333333 0.666667 0.416680 Zn\n0.333333 0.666667 0.708338 Zn\n0.333333 0.666667 0.958337 Zn\n0.000000 0.000000 0.458338 Zn\n0.333333 0.666667 0.583341 Zn\n0.000000 0.000000 0.875010 Zn\n0.666667 0.333333 0.791679 Zn\n0.666667 0.333333 0.375009 Zn\n0.000000 0.000000 0.750019 Zn\n0.000000 0.000000 0.250005 Zn\n0.666667 0.333333 0.947907 S\n0.000000 0.000000 0.572906 S\n0.333333 0.666667 0.197908 S\n0.333333 0.666667 0.989547 S\n0.000000 0.000000 0.364570 S\n0.000000 0.000000 0.489548 S\n0.666667 0.333333 0.531265 S\n0.000000 0.000000 0.781238 S\n0.666667 0.333333 0.822907 S\n0.333333 0.666667 0.447908 S\n0.666667 0.333333 0.239569 S\n0.666667 0.333333 0.114570 S\n0.000000 0.000000 0.031265 S\n0.333333 0.666667 0.739595 S\n0.000000 0.000000 0.156240 S\n0.333333 0.666667 0.864570 S\n0.666667 0.333333 0.656239 S\n0.333333 0.666667 0.614570 S\n0.000000 0.000000 0.281216 S\n0.333333 0.666667 0.072907 S\n0.000000 0.000000 0.697884 S\n0.666667 0.333333 0.406240 S\n0.333333 0.666667 0.322934 S\n0.000000 0.000000 0.906240 S\n","nsites":48,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.997323926848179,"density_atomic":0.049392550544995785,"volume":971.806466164828,"volume_molar":12.192406939005773,"formula_full":"Zn24 S24","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-180.49891034,"energy_per_atom":-3.7603939654166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.42691034,"band_gap":2.2472000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.15e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.859000Z","spacegroup":156}]}