{"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-1244979","created_at":"2022-09-04T14:39:07.724361Z","structure_string":"Zn50 S50\n1.0\n12.934545 -0.668571 0.360232\n-0.634592 13.567367 0.190640\n0.352831 0.206638 13.523871\nZn S\n50 50\ndirect\n0.042096 0.156667 0.685894 Zn\n0.340588 0.571414 0.547719 Zn\n0.733340 0.082604 0.945421 Zn\n0.709237 0.452170 0.446832 Zn\n0.077658 0.831071 0.650901 Zn\n0.435015 0.030874 0.462479 Zn\n0.935991 0.553116 0.290010 Zn\n0.360046 0.960446 0.198502 Zn\n0.573310 0.524196 0.986524 Zn\n0.649474 0.888138 0.137141 Zn\n0.914220 0.314008 0.547543 Zn\n0.480583 0.956806 0.935282 Zn\n0.101862 0.923472 0.230215 Zn\n0.931041 0.295339 0.739933 Zn\n0.527500 0.885887 0.524531 Zn\n0.433623 0.720121 0.053368 Zn\n0.001264 0.806682 0.817499 Zn\n0.045062 0.062946 0.478030 Zn\n0.296321 0.177419 0.082877 Zn\n0.400061 0.571495 0.219512 Zn\n0.112389 0.264811 0.819953 Zn\n0.174545 0.032029 0.946054 Zn\n0.594981 0.216516 0.551615 Zn\n0.463858 0.821820 0.699534 Zn\n0.549303 0.569803 0.640435 Zn\n0.949184 0.567085 0.891690 Zn\n0.475478 0.111927 0.757695 Zn\n0.634948 0.515966 0.214258 Zn\n0.743896 0.184406 0.408202 Zn\n0.434533 0.268011 0.976700 Zn\n0.000203 0.800334 0.438497 Zn\n0.634323 0.932313 0.674628 Zn\n0.983344 0.139466 0.107264 Zn\n0.482601 0.204230 0.157144 Zn\n0.655977 0.292188 0.867015 Zn\n0.306336 0.700294 0.874209 Zn\n0.811169 0.931484 0.303426 Zn\n0.228229 0.332559 0.554206 Zn\n0.254693 0.562889 0.765569 Zn\n0.845936 0.344258 0.245632 Zn\n0.749062 0.621535 0.825817 Zn\n0.583861 0.980193 0.347770 Zn\n0.475435 0.426500 0.423436 Zn\n0.130895 0.710546 0.508404 Zn\n0.225921 0.501848 0.287217 Zn\n0.048401 0.433812 0.115134 Zn\n0.943229 0.974248 0.049456 Zn\n0.830991 0.401809 0.023597 Zn\n0.041862 0.441061 0.626875 Zn\n0.811996 0.994500 0.630386 Zn\n0.477391 0.889947 0.088479 S\n0.488705 0.272372 0.815760 S\n0.251498 0.948694 0.441032 S\n0.637827 0.200244 0.043934 S\n0.327008 0.313529 0.410807 S\n0.220542 0.017654 0.119166 S\n0.005197 0.814793 0.132858 S\n0.714382 0.454823 0.911942 S\n0.796907 0.209301 0.828985 S\n0.957139 0.563602 0.708366 S\n0.027244 0.955502 0.894415 S\n0.504937 0.740652 0.850858 S\n0.168913 0.204097 0.964129 S\n0.575798 0.643001 0.106446 S\n0.879285 0.702904 0.346721 S\n0.786202 0.245103 0.100734 S\n0.604115 0.021279 0.823175 S\n0.003422 0.427468 0.950753 S\n0.432785 0.440666 0.595945 S\n0.428875 0.422112 0.052100 S\n0.598337 0.555172 0.374900 S\n0.820474 0.603315 0.652692 S\n0.254558 0.857481 0.566077 S\n0.866065 0.783785 0.213405 S\n0.453711 0.080344 0.284258 S\n-0.005127 0.995856 0.634209 S\n0.175712 0.551307 0.493841 S\n0.772559 0.183827 0.572658 S\n0.808230 0.497471 0.171233 S\n0.872437 0.705862 0.913678 S\n0.567176 0.609539 0.819128 S\n0.188756 0.400117 0.711955 S\n0.332424 -0.004200 0.853329 S\n0.001999 0.283812 0.197307 S\n0.072272 0.226518 0.515706 S\n0.224527 0.330660 0.300717 S\n0.467812 0.701760 0.571340 S\n0.646176 0.834166 0.298504 S\n0.704296 0.487119 0.625080 S\n0.301993 0.858107 0.783987 S\n0.497118 0.380665 0.183300 S\n0.245814 0.858244 0.317132 S\n0.093317 0.567130 0.205936 S\n0.268746 0.671370 0.035572 S\n0.738888 0.079058 0.288594 S\n-0.015107 0.957238 0.361458 S\n0.614723 0.299777 0.401418 S\n0.877400 0.415089 0.405817 S\n0.436101 0.139786 0.593940 S\n0.767072 0.933885 0.012453 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4216714506873545,"density_atomic":0.04227955581515802,"volume":2365.20933278462,"volume_molar":14.243623528894666,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-327.92931588,"energy_per_atom":-3.2792931588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.77931588,"band_gap":0.8919999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.833000Z","spacegroup":1},{"id":"mp-556950","created_at":"2022-09-04T14:40:26.547619Z","structure_string":"Zn16 S16\n1.0\n1.926139 -3.336171 0.000000\n1.926139 3.336171 0.000000\n0.000000 0.000000 50.398973\nZn S\n16 16\ndirect\n0.333333 0.666667 0.625009 Zn\n0.666667 0.333333 0.125015 Zn\n0.000000 0.000000 0.437512 Zn\n0.333333 0.666667 0.062523 Zn\n0.666667 0.333333 0.500009 Zn\n0.333333 0.666667 0.250007 Zn\n0.666667 0.333333 0.312505 Zn\n0.000000 0.000000 0.812508 Zn\n0.666667 0.333333 0.687513 Zn\n0.000000 0.000000 0.187517 Zn\n0.333333 0.666667 0.375028 Zn\n0.333333 0.666667 0.937513 Zn\n0.000000 0.000000 0.562523 Zn\n0.666667 0.333333 0.875013 Zn\n0.333333 0.666667 0.750027 Zn\n0.000000 0.000000 0.000009 Zn\n0.000000 0.000000 0.234348 S\n0.333333 0.666667 0.296815 S\n0.666667 0.333333 0.359397 S\n0.666667 0.333333 0.546896 S\n0.333333 0.666667 0.109355 S\n0.666667 0.333333 0.734390 S\n0.333333 0.666667 0.984321 S\n0.666667 0.333333 0.921855 S\n0.000000 0.000000 0.859359 S\n0.333333 0.666667 0.671822 S\n0.000000 0.000000 0.484319 S\n0.333333 0.666667 0.796850 S\n0.000000 0.000000 0.609354 S\n0.000000 0.000000 0.046895 S\n0.666667 0.333333 0.171859 S\n0.333333 0.666667 0.421854 S\n","nsites":32,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.998252876741824,"density_atomic":0.049404029025453045,"volume":647.7204517775978,"volume_molar":12.189574167923395,"formula_full":"Zn16 S16","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-120.32596794,"energy_per_atom":-3.760186498125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.27796794,"band_gap":2.0792,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.08e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.593000Z","spacegroup":156},{"id":"mp-556395","created_at":"2022-09-04T14:46:15.697715Z","structure_string":"Zn8 S8\n1.0\n1.926538 -3.336862 0.000000\n1.926538 3.336862 0.000000\n0.000000 0.000000 25.208123\nZn S\n8 8\ndirect\n0.333333 0.666667 0.125041 Zn\n0.000000 0.000000 0.000057 Zn\n0.666667 0.333333 0.625040 Zn\n0.666667 0.333333 0.875050 Zn\n0.000000 0.000000 0.750031 Zn\n0.333333 0.666667 0.500043 Zn\n0.000000 0.000000 0.375042 Zn\n0.666667 0.333333 0.250041 Zn\n0.666667 0.333333 0.343760 S\n0.666667 0.333333 0.718721 S\n0.333333 0.666667 0.218762 S\n0.000000 0.000000 0.843755 S\n0.666667 0.333333 0.968794 S\n0.000000 0.000000 0.093750 S\n0.333333 0.666667 0.593759 S\n0.000000 0.000000 0.468753 S\n","nsites":16,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9952277543108226,"density_atomic":0.04936664938964858,"volume":324.10544766189764,"volume_molar":12.198803918142252,"formula_full":"Zn8 S8","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-60.16596235,"energy_per_atom":-3.760372646875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.14196235,"band_gap":1.9563,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0053031,"is_theoretical":false,"updated_at":"2021-11-28T01:37:23.428000Z","spacegroup":156},{"id":"mp-1245280","created_at":"2022-09-04T14:45:16.802620Z","structure_string":"Zn50 S50\n1.0\n13.914812 0.105078 -0.238380\n0.158710 13.519244 -0.087802\n-0.124309 -0.088309 12.457597\nZn S\n50 50\ndirect\n0.439148 0.926998 0.895360 Zn\n0.383654 0.272831 0.190732 Zn\n0.739653 0.201397 0.934944 Zn\n0.566194 0.280013 0.880522 Zn\n0.146889 0.149608 0.202897 Zn\n0.843025 0.290058 0.651587 Zn\n0.510522 0.913955 0.634423 Zn\n0.793329 0.184358 0.150359 Zn\n0.277666 0.105529 0.704073 Zn\n0.515227 0.717549 0.870768 Zn\n0.717941 0.440820 0.494093 Zn\n0.733921 0.926940 0.090495 Zn\n0.803719 0.619572 0.088983 Zn\n0.976224 0.051393 0.988751 Zn\n0.192847 0.655744 0.027635 Zn\n0.693438 0.449528 0.051698 Zn\n0.981103 0.114111 0.461614 Zn\n0.061499 0.772392 0.266202 Zn\n0.947998 0.024222 0.303693 Zn\n0.071739 0.941868 0.720233 Zn\n0.893642 0.287195 0.852723 Zn\n0.586644 0.298182 0.678364 Zn\n0.818570 0.470105 0.199393 Zn\n0.594300 0.165944 0.420555 Zn\n0.290706 0.082748 0.022326 Zn\n0.291298 0.708567 0.675053 Zn\n0.835195 0.808949 0.840135 Zn\n0.573516 0.791170 0.029560 Zn\n0.669704 0.038123 0.897020 Zn\n0.522426 0.138590 0.745848 Zn\n0.364433 0.868221 0.168110 Zn\n0.002814 0.388608 0.441813 Zn\n0.386904 0.752748 0.411913 Zn\n0.264715 0.310238 0.452804 Zn\n0.296145 0.032328 0.359952 Zn\n0.611056 0.771815 0.278823 Zn\n0.575976 0.383894 0.264192 Zn\n0.660820 0.712391 0.663947 Zn\n0.173878 0.218225 0.603321 Zn\n0.447212 0.502100 0.467141 Zn\n0.222838 0.493529 0.276425 Zn\n0.471776 0.535300 0.743092 Zn\n0.289400 0.365947 0.644279 Zn\n0.977953 0.596828 0.353657 Zn\n0.928766 0.134868 0.736540 Zn\n0.142905 0.773461 0.889993 Zn\n0.014497 0.622159 0.991684 Zn\n0.814105 0.511692 0.803788 Zn\n0.212550 0.411192 0.994686 Zn\n0.826799 0.894072 0.534420 Zn\n0.628296 0.008865 0.714545 S\n0.049043 0.021427 0.155711 S\n0.461006 0.158786 0.552465 S\n0.906915 0.210436 0.021817 S\n0.008478 0.262037 0.560219 S\n0.240029 0.246257 0.085827 S\n0.351949 0.397543 0.335365 S\n0.712449 0.763809 0.137375 S\n0.729425 0.328982 0.193086 S\n0.719602 0.379806 0.884547 S\n0.455566 0.406685 0.627486 S\n0.617302 0.600618 0.785732 S\n0.529588 0.221078 0.258245 S\n0.325439 0.581246 0.818165 S\n0.331445 0.628946 0.512025 S\n0.776013 0.036990 0.234453 S\n0.419974 0.813270 0.744902 S\n0.274644 0.534352 0.110666 S\n0.132654 0.782370 0.709306 S\n0.811026 0.773207 0.665066 S\n0.041672 0.449498 0.988700 S\n0.694518 0.270109 0.542780 S\n0.066477 0.078014 0.836118 S\n0.189709 0.165714 0.386278 S\n0.454625 0.741401 0.245558 S\n0.206911 0.931946 0.962170 S\n0.596458 0.511926 0.390042 S\n0.997979 0.755961 0.434900 S\n0.465760 0.350109 0.009044 S\n0.835070 0.463410 0.631415 S\n0.990529 0.419256 0.833359 S\n0.859952 0.648512 0.911901 S\n0.556758 0.772635 0.531486 S\n0.866182 0.471960 0.374443 S\n0.216641 0.808755 0.256092 S\n0.114956 0.506080 0.407893 S\n0.570097 0.971497 0.025098 S\n0.834326 0.948621 0.944000 S\n0.241794 0.453664 0.803942 S\n0.680430 0.786907 0.440910 S\n0.530585 0.467385 0.093221 S\n0.383662 0.088508 0.853101 S\n0.251869 0.871022 0.405749 S\n0.364270 0.034386 0.190125 S\n0.696448 0.026944 0.373674 S\n0.322370 0.831099 0.990290 S\n0.941310 0.003864 0.613280 S\n0.888428 0.848085 0.366497 S\n0.392586 0.023012 0.545564 S\n0.970965 0.661694 0.170064 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4544251592303397,"density_atomic":0.04268427388013132,"volume":2342.7832058435934,"volume_molar":14.108570235754172,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-332.46636342,"energy_per_atom":-3.3246636341999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-307.31636342,"band_gap":1.1895999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.592000Z","spacegroup":1},{"id":"mp-560725","created_at":"2022-09-04T14:43:24.178690Z","structure_string":"Zn16 S16\n1.0\n1.926933 -3.337547 0.000000\n1.926933 3.337547 0.000000\n0.000000 0.000000 50.390606\nZn S\n16 16\ndirect\n0.333333 0.666667 0.500005 Zn\n0.333333 0.666667 0.875007 Zn\n0.666667 0.333333 0.187511 Zn\n0.000000 0.000000 0.437498 Zn\n0.333333 0.666667 0.125013 Zn\n0.666667 0.333333 0.000005 Zn\n0.666667 0.333333 0.625013 Zn\n0.000000 0.000000 0.250004 Zn\n0.000000 0.000000 0.937498 Zn\n0.666667 0.333333 0.812501 Zn\n0.333333 0.666667 0.687511 Zn\n0.000000 0.000000 0.750004 Zn\n0.666667 0.333333 0.375007 Zn\n0.000000 0.000000 0.562527 Zn\n0.333333 0.666667 0.312501 Zn\n0.000000 0.000000 0.062527 Zn\n0.666667 0.333333 0.046910 S\n0.000000 0.000000 0.109366 S\n0.333333 0.666667 0.359365 S\n0.666667 0.333333 0.421860 S\n0.666667 0.333333 0.671867 S\n0.333333 0.666667 0.546910 S\n0.666667 0.333333 0.859365 S\n0.000000 0.000000 0.484320 S\n0.000000 0.000000 0.984320 S\n0.000000 0.000000 0.796854 S\n0.333333 0.666667 0.734352 S\n0.000000 0.000000 0.296854 S\n0.333333 0.666667 0.921860 S\n0.000000 0.000000 0.609366 S\n0.333333 0.666667 0.171867 S\n0.666667 0.333333 0.234352 S\n","nsites":32,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.995620999931173,"density_atomic":0.04937150849152155,"volume":648.1470989588112,"volume_molar":12.197603322236283,"formula_full":"Zn16 S16","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-120.33651375,"energy_per_atom":-3.7605160546875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.28851375,"band_gap":2.0616,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003208,"is_theoretical":false,"updated_at":"2021-11-28T01:36:17.281000Z","spacegroup":186},{"id":"mp-10695","created_at":"2022-09-04T14:39:32.945575Z","structure_string":"Zn1 S1\n1.0\n0.000000 2.725135 2.725135\n2.725135 0.000000 2.725135\n2.725135 2.725135 0.000000\nZn S\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 S\n","nsites":2,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9989302156636066,"density_atomic":0.049412398499016484,"volume":40.475671304233664,"volume_molar":12.187509497479397,"formula_full":"Zn1 S1","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-7.52193244,"energy_per_atom":-3.76096622,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.01893244,"band_gap":2.0192,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001603,"is_theoretical":false,"updated_at":"2021-11-28T01:34:38.699000Z","spacegroup":216},{"id":"mp-555151","created_at":"2022-09-04T14:41:13.185069Z","structure_string":"Zn28 S28\n1.0\n1.926226 -3.336321 0.000000\n1.926226 3.336321 0.000000\n0.000000 0.000000 88.182927\nZn S\n28 28\ndirect\n0.000000 0.000000 0.071437 Zn\n0.333333 0.666667 0.321435 Zn\n0.333333 0.666667 0.678578 Zn\n0.666667 0.333333 0.142867 Zn\n0.333333 0.666667 0.892867 Zn\n0.000000 0.000000 0.464293 Zn\n0.000000 0.000000 0.535731 Zn\n0.333333 0.666667 0.214297 Zn\n0.000000 0.000000 0.642863 Zn\n0.000000 0.000000 0.357159 Zn\n0.666667 0.333333 0.607151 Zn\n0.666667 0.333333 0.964293 Zn\n0.000000 0.000000 0.285719 Zn\n0.333333 0.666667 0.785725 Zn\n0.000000 0.000000 0.714305 Zn\n0.000000 0.000000 0.821464 Zn\n0.333333 0.666667 0.107151 Zn\n0.000000 0.000000 0.928581 Zn\n0.666667 0.333333 0.035731 Zn\n0.666667 0.333333 0.250011 Zn\n0.666667 0.333333 0.500008 Zn\n0.000000 0.000000 0.178581 Zn\n0.333333 0.666667 0.000008 Zn\n0.666667 0.333333 0.392867 Zn\n0.333333 0.666667 0.571437 Zn\n0.333333 0.666667 0.428581 Zn\n0.666667 0.333333 0.857153 Zn\n0.666667 0.333333 0.750010 Zn\n0.000000 0.000000 0.205348 S\n0.333333 0.666667 0.348223 S\n0.666667 0.333333 0.419633 S\n0.000000 0.000000 0.669614 S\n0.666667 0.333333 0.776777 S\n0.666667 0.333333 0.991044 S\n0.666667 0.333333 0.276776 S\n0.333333 0.666667 0.455348 S\n0.333333 0.666667 0.026798 S\n0.666667 0.333333 0.633918 S\n0.333333 0.666667 0.598203 S\n0.666667 0.333333 0.062488 S\n0.000000 0.000000 0.098202 S\n0.333333 0.666667 0.133919 S\n0.000000 0.000000 0.848220 S\n0.000000 0.000000 0.312470 S\n0.000000 0.000000 0.562488 S\n0.000000 0.000000 0.955348 S\n0.333333 0.666667 0.919633 S\n0.666667 0.333333 0.883919 S\n0.333333 0.666667 0.241063 S\n0.333333 0.666667 0.705370 S\n0.000000 0.000000 0.491044 S\n0.000000 0.000000 0.741062 S\n0.000000 0.000000 0.383917 S\n0.666667 0.333333 0.169633 S\n0.333333 0.666667 0.812502 S\n0.666667 0.333333 0.526799 S\n","nsites":56,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9985850861869454,"density_atomic":0.04940813393966815,"volume":1133.4166165510546,"volume_molar":12.188561436773924,"formula_full":"Zn28 S28","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-210.58592126,"energy_per_atom":-3.760462879642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.50192126,"band_gap":2.0233,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.59e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.525000Z","spacegroup":156},{"id":"mp-556207","created_at":"2022-09-04T14:40:06.965184Z","structure_string":"Zn20 S20\n1.0\n1.926786 -3.337291 0.000000\n1.926786 3.337291 0.000000\n0.000000 0.000000 63.004342\nZn S\n20 20\ndirect\n0.000000 0.000000 0.399999 Zn\n0.333333 0.666667 0.450009 Zn\n0.333333 0.666667 0.349998 Zn\n0.333333 0.666667 0.200000 Zn\n0.666667 0.333333 0.800000 Zn\n0.666667 0.333333 0.650000 Zn\n0.000000 0.000000 0.599997 Zn\n0.666667 0.333333 0.950000 Zn\n0.666667 0.333333 0.100003 Zn\n0.000000 0.000000 0.899997 Zn\n0.333333 0.666667 0.550014 Zn\n0.666667 0.333333 0.300003 Zn\n0.000000 0.000000 0.000014 Zn\n0.333333 0.666667 0.050003 Zn\n0.000000 0.000000 0.149998 Zn\n0.333333 0.666667 0.850014 Zn\n0.000000 0.000000 0.250014 Zn\n0.000000 0.000000 0.700014 Zn\n0.666667 0.333333 0.499999 Zn\n0.333333 0.666667 0.749998 Zn\n0.000000 0.000000 0.637466 S\n0.333333 0.666667 0.887494 S\n0.666667 0.333333 0.837528 S\n0.000000 0.000000 0.037495 S\n0.000000 0.000000 0.437528 S\n0.333333 0.666667 0.087497 S\n0.333333 0.666667 0.237528 S\n0.000000 0.000000 0.737494 S\n0.000000 0.000000 0.287495 S\n0.666667 0.333333 0.687528 S\n0.666667 0.333333 0.987528 S\n0.666667 0.333333 0.537528 S\n0.666667 0.333333 0.337497 S\n0.333333 0.666667 0.587494 S\n0.333333 0.666667 0.487465 S\n0.333333 0.666667 0.387467 S\n0.666667 0.333333 0.137497 S\n0.333333 0.666667 0.787466 S\n0.000000 0.000000 0.937466 S\n0.000000 0.000000 0.187467 S\n","nsites":40,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9952121545561714,"density_atomic":0.049366456632773184,"volume":810.2667829200643,"volume_molar":12.198851549742479,"formula_full":"Zn20 S20","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-150.40113488,"energy_per_atom":-3.760028372,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.34113488,"band_gap":2.0276,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.02e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.903000Z","spacegroup":156},{"id":"mp-1245197","created_at":"2022-09-04T14:47:04.655808Z","structure_string":"Zn50 S50\n1.0\n13.846688 -0.450528 -0.239406\n-0.429982 12.375967 0.422482\n-0.221103 0.448969 14.188749\nZn S\n50 50\ndirect\n0.562784 0.944524 0.553803 Zn\n0.385545 0.540310 0.934753 Zn\n0.852482 0.255483 0.795886 Zn\n0.640473 0.353954 0.940541 Zn\n0.017713 0.094449 0.427205 Zn\n0.577843 0.210109 0.463931 Zn\n0.850090 0.826084 0.524737 Zn\n0.624217 0.868027 0.110013 Zn\n0.424605 0.265544 0.634527 Zn\n0.760541 0.032995 0.949915 Zn\n0.664007 0.417655 0.636436 Zn\n0.629546 0.087002 0.041438 Zn\n0.822317 0.508533 0.117807 Zn\n0.957735 0.972526 0.742188 Zn\n0.441241 0.488925 0.779203 Zn\n0.627754 0.597544 0.245851 Zn\n0.040936 0.863274 0.553156 Zn\n0.141901 0.844315 0.065363 Zn\n0.083628 0.159427 0.135359 Zn\n0.350493 0.830914 0.466184 Zn\n0.032438 0.204498 0.911200 Zn\n0.624150 0.163550 0.754997 Zn\n0.703645 0.416754 0.401724 Zn\n0.732774 0.911777 0.726276 Zn\n0.325130 0.986758 0.908919 Zn\n0.142363 0.666912 0.909210 Zn\n0.812628 0.634621 0.551446 Zn\n0.399732 0.550826 0.208812 Zn\n0.793069 0.077035 0.435450 Zn\n0.389917 0.281365 0.926612 Zn\n0.128891 0.968137 0.258975 Zn\n0.019639 0.571451 0.545999 Zn\n0.168622 0.521892 0.394935 Zn\n0.193316 0.299403 0.055939 Zn\n0.072326 0.503832 0.128569 Zn\n0.354756 0.966238 0.074961 Zn\n0.551485 0.016918 0.303401 Zn\n0.894614 0.543523 0.882202 Zn\n0.249240 0.042866 0.621032 Zn\n0.154170 0.306826 0.235984 Zn\n0.485459 0.534339 0.456276 Zn\n0.594933 0.593855 0.025490 Zn\n0.205620 0.294411 0.653528 Zn\n0.947738 0.534708 0.300665 Zn\n0.967758 0.211873 0.586362 Zn\n0.285129 0.798988 0.705004 Zn\n0.853927 0.859998 0.257176 Zn\n0.953946 0.697242 0.965841 Zn\n0.134178 0.528192 0.710172 Zn\n0.944717 0.787850 0.694471 Zn\n0.515877 0.991872 0.146619 S\n0.160728 0.131118 0.983638 S\n0.542530 0.375233 0.397326 S\n0.952091 0.362435 0.956265 S\n0.090328 0.328957 0.765784 S\n0.900522 0.092844 0.857348 S\n0.088254 0.444424 0.976012 S\n0.730692 0.501930 0.978712 S\n0.736778 0.957090 0.567771 S\n0.975171 0.602806 0.697037 S\n0.756073 0.743888 0.801709 S\n0.421961 0.697856 0.647115 S\n0.340640 0.382866 0.035770 S\n0.753223 0.786842 0.936920 S\n0.042973 0.642623 0.396043 S\n0.666628 0.145045 0.346561 S\n0.602114 0.771992 0.969711 S\n0.350776 0.660296 0.063289 S\n0.362507 0.650118 0.517063 S\n0.647529 0.000781 0.823822 S\n0.777545 0.504397 0.275628 S\n0.706554 0.328521 0.781530 S\n0.060341 0.068253 0.620225 S\n-0.000032 0.382936 0.238785 S\n0.257106 0.458759 0.282213 S\n0.218521 0.869664 0.555736 S\n0.495914 0.651374 0.322272 S\n0.790663 0.447214 0.540487 S\n0.539567 0.206655 0.939015 S\n0.958180 0.341857 0.689664 S\n0.243586 0.633715 0.793812 S\n0.068841 0.832295 0.918675 S\n0.506885 0.450261 0.626538 S\n0.939972 0.054427 0.137270 S\n0.895296 0.941662 0.392063 S\n0.149837 0.455118 0.557688 S\n0.454167 0.973240 0.427520 S\n0.720041 0.770397 0.205891 S\n0.343601 0.310137 0.770854 S\n0.152932 0.111821 0.343705 S\n0.539189 0.482676 0.142505 S\n0.200480 0.650492 0.067530 S\n0.247327 0.891091 0.185028 S\n0.334813 0.967419 0.753594 S\n0.556314 0.771810 0.630029 S\n0.952963 0.634891 0.126096 S\n0.286795 0.209067 0.547505 S\n0.906451 0.223925 0.440190 S\n0.542185 0.138210 0.612438 S\n0.993482 0.900435 0.168213 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.3365784248245878,"density_atomic":0.04122811198476839,"volume":2425.529455167501,"volume_molar":14.606879796544801,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-330.62365955,"energy_per_atom":-3.3062365955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-305.47365955,"band_gap":0.8603999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.687000Z","spacegroup":1},{"id":"mp-581258","created_at":"2022-09-04T14:39:29.751121Z","structure_string":"Zn12 S12\n1.0\n3.850251 -0.001774 37.641939\n1.918587 3.338182 37.641939\n-0.003068 -0.001774 37.838341\nZn S\n12 12\ndirect\n0.083339 0.083339 0.083339 Zn\n0.611125 0.611125 0.611125 Zn\n0.500011 0.500011 0.500011 Zn\n0.194454 0.194454 0.194454 Zn\n0.916671 0.916671 0.916671 Zn\n0.361127 0.361127 0.361127 Zn\n0.000002 0.000002 0.000002 Zn\n0.805550 0.805550 0.805550 Zn\n0.722221 0.722221 0.722221 Zn\n0.555563 0.555563 0.555563 Zn\n0.305554 0.305554 0.305554 Zn\n0.444453 0.444453 0.444453 Zn\n0.937511 0.937511 0.937511 S\n0.104164 0.104164 0.104164 S\n0.520816 0.520816 0.520816 S\n0.381939 0.381939 0.381939 S\n0.215291 0.215291 0.215291 S\n0.465255 0.465255 0.465255 S\n0.743048 0.743048 0.743048 S\n0.020844 0.020844 0.020844 S\n0.826392 0.826392 0.826392 S\n0.576368 0.576368 0.576368 S\n0.631939 0.631939 0.631939 S\n0.326366 0.326366 0.326366 S\n","nsites":24,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.988537969528025,"density_atomic":0.04928398770421444,"volume":486.9735814406852,"volume_molar":12.219264390988043,"formula_full":"Zn12 S12","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-89.98438188,"energy_per_atom":-3.749349245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.94838188,"band_gap":2.03,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.43e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.391000Z","spacegroup":160},{"id":"mp-1245238","created_at":"2022-09-04T14:40:34.817934Z","structure_string":"Zn50 S50\n1.0\n14.123273 0.226211 0.286014\n0.240312 13.447042 0.232048\n0.257141 0.236890 12.754449\nZn S\n50 50\ndirect\n0.574024 0.010807 0.591294 Zn\n0.091946 0.522364 0.782509 Zn\n0.808831 0.247758 0.858386 Zn\n0.626645 0.423627 0.773711 Zn\n0.030240 0.118984 0.475263 Zn\n0.444072 0.085970 0.416198 Zn\n0.728888 0.596216 0.459353 Zn\n0.494178 0.787393 0.230549 Zn\n0.457818 0.297394 0.568598 Zn\n0.797590 0.069688 0.118469 Zn\n0.921131 0.389029 0.493375 Zn\n0.605758 0.931538 0.053943 Zn\n0.889275 0.518629 0.215266 Zn\n0.960219 0.079433 0.707603 Zn\n0.501884 0.689634 0.519771 Zn\n0.599872 0.609907 0.951855 Zn\n0.183223 0.942115 0.611706 Zn\n0.107427 0.846168 0.161799 Zn\n0.094945 0.111095 0.989470 Zn\n0.288320 0.617676 0.261442 Zn\n0.103764 0.371018 0.980076 Zn\n0.499015 0.160096 0.816696 Zn\n0.661342 0.363299 0.402502 Zn\n0.712641 0.997144 0.787575 Zn\n0.446121 0.885932 0.885537 Zn\n0.139160 0.696647 0.002127 Zn\n0.591039 0.782483 0.636778 Zn\n0.511017 0.530059 0.291236 Zn\n0.820357 0.139956 0.435674 Zn\n0.376033 0.378698 0.937637 Zn\n0.066859 0.006588 0.207744 Zn\n0.972610 0.871391 0.590743 Zn\n0.164488 0.314955 0.368497 Zn\n0.267425 0.304904 0.219362 Zn\n0.842583 0.369864 0.986203 Zn\n0.339881 0.857198 0.034078 Zn\n0.639844 0.937001 0.314966 Zn\n0.800091 0.458033 0.795609 Zn\n0.346356 0.903095 0.620097 Zn\n0.016844 0.254470 0.181934 Zn\n0.705358 0.573302 0.649054 Zn\n0.705321 0.749497 0.150435 Zn\n0.226298 0.225710 0.762650 Zn\n0.016293 0.652304 0.342197 Zn\n0.040869 0.346832 0.617205 Zn\n0.459072 0.623063 0.772024 Zn\n0.836835 0.864330 0.253735 Zn\n0.921559 0.659568 0.944032 Zn\n0.174571 0.564228 0.535238 Zn\n0.018163 0.750996 0.730697 Zn\n0.512745 0.956204 0.208132 S\n0.355874 0.221283 0.879320 S\n0.475991 0.202879 0.298846 S\n0.744400 0.237265 0.091191 S\n0.102947 0.348459 0.800224 S\n0.085994 0.961868 0.766072 S\n0.813664 0.620692 0.083144 S\n0.729208 0.513569 0.020211 S\n0.841362 0.081920 0.837458 S\n0.160390 0.646921 0.680998 S\n0.022763 0.784497 0.923497 S\n0.631532 0.673888 0.777754 S\n0.163815 0.239419 0.080227 S\n0.564112 0.742272 0.064452 S\n0.893851 0.544741 0.388911 S\n0.779052 0.030520 0.305407 S\n0.566599 0.000218 0.889623 S\n0.160765 0.535765 0.953802 S\n0.425016 0.547141 0.614665 S\n0.631097 0.256592 0.861913 S\n0.667976 0.512983 0.313391 S\n0.538474 0.442097 0.606375 S\n0.078136 0.176613 0.631367 S\n0.961108 0.406576 0.099118 S\n0.395755 0.368362 0.122708 S\n0.106113 0.871525 0.463575 S\n0.425527 0.679642 0.348222 S\n0.776621 0.290971 0.496471 S\n0.614871 0.268640 0.026702 S\n0.924794 0.572811 0.795731 S\n0.304531 0.533487 0.906984 S\n0.176708 0.054841 0.846629 S\n0.498944 0.328225 0.386498 S\n0.963110 0.109723 0.107483 S\n0.899177 0.026665 0.547168 S\n0.207128 0.378153 0.530899 S\n0.470469 0.937459 0.485638 S\n0.707181 0.774532 0.330261 S\n0.506915 0.488629 0.888003 S\n0.127889 0.009228 0.382670 S\n0.402571 0.516105 0.164326 S\n0.239530 0.741291 0.129066 S\n0.156419 0.564644 0.359545 S\n0.399293 0.790871 0.755080 S\n0.697118 0.912418 0.637187 S\n0.966928 0.759687 0.214539 S\n0.298190 0.264299 0.589600 S\n0.006358 0.261550 0.361693 S\n0.550631 0.168715 0.639988 S\n0.770795 0.907362 0.066541 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.344412000549962,"density_atomic":0.04132490681351991,"volume":2419.8481668997706,"volume_molar":14.572666278898392,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-330.11284097,"energy_per_atom":-3.3011284097,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.96284097,"band_gap":1.2894,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.121000Z","spacegroup":1},{"id":"mp-554961","created_at":"2022-09-04T14:44:05.344528Z","structure_string":"Zn28 S28\n1.0\n1.926525 -3.336840 0.000000\n1.926525 3.336840 0.000000\n0.000000 0.000000 88.154408\nZn S\n28 28\ndirect\n0.000000 0.000000 0.071430 Zn\n0.333333 0.666667 0.928570 Zn\n0.333333 0.666667 0.321430 Zn\n0.333333 0.666667 0.678573 Zn\n0.666667 0.333333 0.142860 Zn\n0.666667 0.333333 0.357144 Zn\n0.000000 0.000000 0.392856 Zn\n0.000000 0.000000 0.571426 Zn\n0.000000 0.000000 0.464298 Zn\n0.333333 0.666667 0.214290 Zn\n0.000000 0.000000 0.642868 Zn\n0.333333 0.666667 0.785718 Zn\n0.666667 0.333333 0.892868 Zn\n0.666667 0.333333 0.607141 Zn\n0.666667 0.333333 0.821453 Zn\n0.000000 0.000000 0.285716 Zn\n0.000000 0.000000 0.857144 Zn\n0.333333 0.666667 0.535716 Zn\n0.000000 0.000000 0.964288 Zn\n0.333333 0.666667 0.107143 Zn\n0.666667 0.333333 0.035715 Zn\n0.666667 0.333333 0.250004 Zn\n0.000000 0.000000 0.178574 Zn\n0.333333 0.666667 0.000011 Zn\n0.000000 0.000000 0.750004 Zn\n0.666667 0.333333 0.714290 Zn\n0.333333 0.666667 0.428571 Zn\n0.666667 0.333333 0.500003 Zn\n0.000000 0.000000 0.205356 S\n0.333333 0.666667 0.348210 S\n0.666667 0.333333 0.848205 S\n0.000000 0.000000 0.491069 S\n0.666667 0.333333 0.741070 S\n0.666667 0.333333 0.276786 S\n0.333333 0.666667 0.455376 S\n0.000000 0.000000 0.883948 S\n0.333333 0.666667 0.026783 S\n0.000000 0.000000 0.598189 S\n0.666667 0.333333 0.633947 S\n0.000000 0.000000 0.419620 S\n0.666667 0.333333 0.062496 S\n0.000000 0.000000 0.098208 S\n0.333333 0.666667 0.133925 S\n0.000000 0.000000 0.312496 S\n0.000000 0.000000 0.776786 S\n0.000000 0.000000 0.669639 S\n0.666667 0.333333 0.526785 S\n0.333333 0.666667 0.241070 S\n0.333333 0.666667 0.705356 S\n0.000000 0.000000 0.991091 S\n0.333333 0.666667 0.955335 S\n0.666667 0.333333 0.383925 S\n0.666667 0.333333 0.919639 S\n0.333333 0.666667 0.812508 S\n0.333333 0.666667 0.562496 S\n0.666667 0.333333 0.169640 S\n","nsites":56,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9986358579032637,"density_atomic":0.04940876129552182,"volume":1133.4022252663838,"volume_molar":12.188406675448915,"formula_full":"Zn28 S28","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-210.5859998,"energy_per_atom":-3.760464282142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.5019998,"band_gap":2.018,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":2.19e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.716000Z","spacegroup":156}]}