{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=54","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-chemical_system&page=52","results":[{"id":"mp-555583","created_at":"2022-09-04T14:45:14.865489Z","structure_string":"Zn24 S24\n1.0\n1.926290 -3.336432 0.000000\n1.926290 3.336432 0.000000\n0.000000 0.000000 75.576232\nZn S\n24 24\ndirect\n0.000000 0.000000 0.583332 Zn\n0.666667 0.333333 0.666672 Zn\n0.000000 0.000000 0.333335 Zn\n0.666667 0.333333 0.291685 Zn\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.083335 Zn\n0.666667 0.333333 0.208327 Zn\n0.333333 0.666667 0.541664 Zn\n0.000000 0.000000 0.708335 Zn\n0.333333 0.666667 0.125003 Zn\n0.000000 0.000000 0.166672 Zn\n0.333333 0.666667 0.833348 Zn\n0.666667 0.333333 0.791670 Zn\n0.000000 0.000000 0.458332 Zn\n0.333333 0.666667 0.749995 Zn\n0.000000 0.000000 0.041685 Zn\n0.666667 0.333333 0.416665 Zn\n0.000000 0.000000 0.958340 Zn\n0.666667 0.333333 0.916670 Zn\n0.333333 0.666667 0.375003 Zn\n0.000000 0.000000 0.874995 Zn\n0.333333 0.666667 0.625015 Zn\n0.666667 0.333333 0.500015 Zn\n0.333333 0.666667 0.999999 Zn\n0.000000 0.000000 0.989551 S\n0.333333 0.666667 0.406246 S\n0.000000 0.000000 0.614606 S\n0.333333 0.666667 0.656247 S\n0.666667 0.333333 0.447887 S\n0.666667 0.333333 0.947941 S\n0.333333 0.666667 0.864577 S\n0.333333 0.666667 0.031274 S\n0.666667 0.333333 0.822942 S\n0.000000 0.000000 0.489606 S\n0.333333 0.666667 0.572886 S\n0.000000 0.000000 0.739576 S\n0.333333 0.666667 0.281274 S\n0.000000 0.000000 0.364577 S\n0.666667 0.333333 0.697914 S\n0.000000 0.000000 0.906219 S\n0.666667 0.333333 0.114577 S\n0.000000 0.000000 0.072914 S\n0.333333 0.666667 0.156247 S\n0.666667 0.333333 0.239550 S\n0.666667 0.333333 0.531246 S\n0.333333 0.666667 0.781219 S\n0.666667 0.333333 0.322915 S\n0.000000 0.000000 0.197913 S\n","nsites":48,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.998802439716356,"density_atomic":0.04941081964775285,"volume":971.4471514981838,"volume_molar":12.187898931714807,"formula_full":"Zn24 S24","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-180.48832907,"energy_per_atom":-3.7601735222916663,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.41632907,"band_gap":2.03,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.63e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:51.384000Z","spacegroup":156},{"id":"mp-555311","created_at":"2022-09-04T14:44:05.132679Z","structure_string":"Zn26 S26\n1.0\n1.927032 -3.337718 0.000000\n1.927032 3.337718 0.000000\n0.000000 0.000000 81.902644\nZn S\n26 26\ndirect\n0.333333 0.666667 0.807675 Zn\n0.000000 0.000000 0.115391 Zn\n0.666667 0.333333 0.461557 Zn\n0.333333 0.666667 0.653847 Zn\n0.000000 0.000000 0.230776 Zn\n0.666667 0.333333 0.961539 Zn\n0.333333 0.666667 0.884643 Zn\n0.333333 0.666667 0.038472 Zn\n0.666667 0.333333 0.192292 Zn\n0.666667 0.333333 0.076927 Zn\n0.000000 0.000000 0.769255 Zn\n0.000000 0.000000 0.692292 Zn\n0.333333 0.666667 0.423081 Zn\n0.666667 0.333333 0.846159 Zn\n0.000000 0.000000 0.576952 Zn\n0.333333 0.666667 0.538468 Zn\n0.000000 0.000000 0.000035 Zn\n0.333333 0.666667 0.307699 Zn\n0.333333 0.666667 0.153847 Zn\n0.666667 0.333333 0.269259 Zn\n0.000000 0.000000 0.923064 Zn\n0.666667 0.333333 0.615394 Zn\n0.000000 0.000000 0.499987 Zn\n0.666667 0.333333 0.384600 Zn\n0.000000 0.000000 0.346160 Zn\n0.666667 0.333333 0.730774 Zn\n0.666667 0.333333 0.759645 S\n0.000000 0.000000 0.028861 S\n0.000000 0.000000 0.721114 S\n0.000000 0.000000 0.798064 S\n0.333333 0.666667 0.336535 S\n0.666667 0.333333 0.221114 S\n0.333333 0.666667 0.836494 S\n0.333333 0.666667 0.067298 S\n0.333333 0.666667 0.913458 S\n0.333333 0.666667 0.451947 S\n0.666667 0.333333 0.105766 S\n0.666667 0.333333 0.875031 S\n0.666667 0.333333 0.298074 S\n0.000000 0.000000 0.605776 S\n0.000000 0.000000 0.951880 S\n0.666667 0.333333 0.490373 S\n0.333333 0.666667 0.682678 S\n0.000000 0.000000 0.374991 S\n0.333333 0.666667 0.182678 S\n0.666667 0.333333 0.990413 S\n0.000000 0.000000 0.259647 S\n0.666667 0.333333 0.413421 S\n0.000000 0.000000 0.144227 S\n0.000000 0.000000 0.528809 S\n0.333333 0.666667 0.567335 S\n0.666667 0.333333 0.644229 S\n","nsites":52,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.994337418735647,"density_atomic":0.04935564804332197,"volume":1053.5774944005789,"volume_molar":12.201523024708456,"formula_full":"Zn26 S26","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-195.53358702,"energy_per_atom":-3.760261288846154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.45558702,"band_gap":2.0318000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.57e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:25.003000Z","spacegroup":156},{"id":"mp-1245199","created_at":"2022-09-04T14:46:54.654058Z","structure_string":"Zn50 S50\n1.0\n12.415737 0.140378 -0.218467\n0.147236 13.169912 0.038263\n-0.198729 0.039143 14.551491\nZn S\n50 50\ndirect\n0.077240 0.083899 0.028330 Zn\n0.645392 0.135467 0.248006 Zn\n0.378547 0.195919 0.229678 Zn\n0.865009 0.699210 0.044501 Zn\n0.266078 0.226030 0.492199 Zn\n0.750940 0.625928 0.828822 Zn\n0.915108 0.519582 0.190479 Zn\n0.231355 0.778465 0.530913 Zn\n0.912940 0.552510 0.704431 Zn\n0.189819 0.454867 0.278116 Zn\n0.438550 0.899885 0.415224 Zn\n0.164986 0.911615 0.199972 Zn\n0.347708 0.723277 0.267869 Zn\n0.809013 0.360276 0.335827 Zn\n0.013850 0.091516 0.798199 Zn\n0.377369 0.545100 0.465719 Zn\n0.818841 0.299451 0.837179 Zn\n0.436477 0.323020 0.643286 Zn\n0.779860 0.275063 0.108079 Zn\n0.782529 0.066387 0.992585 Zn\n0.096277 0.885236 0.429132 Zn\n0.842005 0.775057 0.285222 Zn\n0.446221 0.739378 0.990880 Zn\n0.536597 0.267728 0.898344 Zn\n0.714329 0.973989 0.806441 Zn\n0.723515 0.139061 0.434541 Zn\n0.930065 0.025004 0.246681 Zn\n0.830979 0.518734 0.479232 Zn\n0.182247 0.645011 0.687850 Zn\n0.804144 0.065156 0.693278 Zn\n0.157192 0.198511 0.285043 Zn\n0.663353 0.878967 0.524088 Zn\n0.683320 0.637408 0.469928 Zn\n0.220165 0.314865 0.017902 Zn\n0.069448 0.514097 0.494322 Zn\n0.194449 0.664849 0.053804 Zn\n0.578218 0.351006 0.426337 Zn\n0.981045 0.459960 0.977301 Zn\n0.151866 0.966274 0.578097 Zn\n0.472849 0.064952 0.508409 Zn\n0.208171 0.524773 0.834992 Zn\n0.182910 0.754781 0.833518 Zn\n0.257814 0.468065 0.675311 Zn\n0.013951 0.801765 0.750694 Zn\n0.414715 0.978688 0.135548 Zn\n0.739683 0.797250 0.954568 Zn\n0.317036 0.164159 0.729804 Zn\n0.472603 0.675145 0.669595 Zn\n0.432354 0.510201 0.233712 Zn\n0.613719 0.994115 0.361360 Zn\n0.344514 0.894797 0.007611 S\n0.497561 0.206851 0.756659 S\n0.854730 0.474509 0.848098 S\n0.564230 0.612227 0.808185 S\n0.566984 0.541643 0.128442 S\n0.673835 0.315453 0.232862 S\n0.567458 0.754589 0.874049 S\n0.021806 0.109636 0.473507 S\n0.932675 0.368502 0.106094 S\n0.543471 0.495112 0.992108 S\n0.310397 0.125438 0.354401 S\n0.427795 0.505926 0.618827 S\n0.205117 0.094548 0.837129 S\n0.713285 0.238585 0.953598 S\n0.014068 0.852288 0.286749 S\n0.239361 0.138961 0.973288 S\n0.024222 0.606500 0.065594 S\n0.497633 0.128122 0.133069 S\n0.127494 0.391071 0.900359 S\n0.748188 0.306351 0.475888 S\n0.225202 0.448417 0.430695 S\n0.233163 0.302954 0.644118 S\n0.303515 0.064803 0.592181 S\n0.070236 0.247085 0.420371 S\n0.244132 0.320280 0.179472 S\n0.900111 0.212626 0.723996 S\n0.426051 0.389990 0.962314 S\n0.696565 0.826522 0.369932 S\n0.297239 0.647695 0.925852 S\n0.265945 0.587732 0.196867 S\n0.316081 0.773545 0.681889 S\n0.791243 0.654092 0.186196 S\n0.364370 0.726842 0.429290 S\n0.889461 0.056155 0.400793 S\n0.952868 0.469419 0.342220 S\n0.462566 0.248810 0.500969 S\n0.190946 0.849106 0.048487 S\n0.507357 0.694441 0.141552 S\n0.081083 0.677719 0.554626 S\n0.667706 0.045327 0.563832 S\n0.792060 0.085581 0.152991 S\n0.852412 0.715971 0.727535 S\n0.089841 0.077049 0.184542 S\n0.341778 0.897552 0.259383 S\n0.947016 0.443261 0.591377 S\n0.008571 0.962654 0.679058 S\n0.650001 0.952968 0.950654 S\n0.951063 0.022356 0.935551 S\n0.521712 0.507678 0.371682 S\n0.611262 0.733877 0.584588 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.402578295457802,"density_atomic":0.04204363306984208,"volume":2378.4814179564814,"volume_molar":14.323549893978324,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-334.46731198,"energy_per_atom":-3.3446731198,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.31731198,"band_gap":1.2531,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.912000Z","spacegroup":1},{"id":"mp-555280","created_at":"2022-09-04T14:41:07.551000Z","structure_string":"Zn6 S6\n1.0\n18.914083 -1.928628 0.000000\n18.914083 1.928628 0.000000\n18.717425 0.000000 3.334688\nZn S\n6 6\ndirect\n0.555567 0.555567 0.555567 Zn\n0.166681 0.166681 0.166681 Zn\n0.388938 0.388938 0.388938 Zn\n0.277802 0.277802 0.277802 Zn\n0.000016 0.000016 0.000016 Zn\n0.777807 0.777807 0.777807 Zn\n0.597231 0.597231 0.597231 S\n0.041684 0.041684 0.041684 S\n0.430560 0.430560 0.430560 S\n0.208285 0.208285 0.208285 S\n0.319395 0.319395 0.319395 S\n0.819431 0.819431 0.819431 S\n","nsites":12,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9918128859102064,"density_atomic":0.04932445389507054,"volume":243.2870321388246,"volume_molar":12.209239605188715,"formula_full":"Zn6 S6","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-44.99129689,"energy_per_atom":-3.7492747408333336,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.97329689,"band_gap":2.0347,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002128,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.856000Z","spacegroup":160},{"id":"mp-608468","created_at":"2022-09-04T14:46:12.494463Z","structure_string":"Zn12 S12\n1.0\n3.851860 -0.011967 37.587618\n1.910581 3.344644 37.587618\n-0.020692 -0.011967 37.784460\nZn S\n12 12\ndirect\n0.083354 0.083354 0.083354 Zn\n0.527805 0.527805 0.527805 Zn\n0.166686 0.166686 0.166686 Zn\n0.388898 0.388898 0.388898 Zn\n0.583359 0.583359 0.583359 Zn\n0.777807 0.777807 0.777807 Zn\n0.277813 0.277813 0.277813 Zn\n0.000022 0.000022 0.000022 Zn\n0.888890 0.888890 0.888890 Zn\n0.638913 0.638913 0.638913 Zn\n0.472231 0.472231 0.472231 Zn\n0.694477 0.694477 0.694477 Zn\n0.298606 0.298606 0.298606 S\n0.798590 0.798590 0.798590 S\n0.548576 0.548576 0.548576 S\n0.409699 0.409699 0.409699 S\n0.659689 0.659689 0.659689 S\n0.604134 0.604134 0.604134 S\n0.020825 0.020825 0.020825 S\n0.493018 0.493018 0.493018 S\n0.909711 0.909711 0.909711 S\n0.104148 0.104148 0.104148 S\n0.187492 0.187492 0.187492 S\n0.715259 0.715259 0.715259 S\n","nsites":24,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.954793151770918,"density_atomic":0.048867023093089275,"volume":491.1287506562694,"volume_molar":12.323526948895822,"formula_full":"Zn12 S12","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-89.02853934,"energy_per_atom":-3.7095224725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.99253934,"band_gap":1.9701,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001062,"is_theoretical":true,"updated_at":"2021-11-28T01:37:26.808000Z","spacegroup":160},{"id":"mp-1245169","created_at":"2022-09-04T14:41:51.606255Z","structure_string":"Zn50 S50\n1.0\n12.845352 -0.133995 -0.698589\n-0.126428 12.836547 -0.027198\n-0.619117 -0.031375 14.445165\nZn S\n50 50\ndirect\n0.024692 0.364394 0.010986 Zn\n0.510353 0.143949 0.260546 Zn\n0.437684 0.010481 0.054114 Zn\n0.933557 0.743536 0.060741 Zn\n0.257923 0.141003 0.641935 Zn\n0.645028 0.622611 0.780477 Zn\n0.838742 0.321791 0.179542 Zn\n0.412107 0.682288 0.357009 Zn\n0.899319 0.465059 0.778908 Zn\n0.147702 0.696775 0.308439 Zn\n0.344603 0.968399 0.289631 Zn\n0.061050 0.076607 0.045768 Zn\n0.415706 0.462986 0.448919 Zn\n0.747092 0.467102 0.388504 Zn\n0.794426 0.194213 0.904950 Zn\n0.308767 0.363670 0.551797 Zn\n0.752224 0.493679 0.988784 Zn\n0.573202 0.333070 0.734800 Zn\n0.946205 0.116392 0.183605 Zn\n0.628175 0.038067 0.767344 Zn\n0.083516 0.137200 0.455278 Zn\n0.914632 0.763499 0.484992 Zn\n0.494820 0.766142 0.178362 Zn\n0.682883 0.090028 0.594693 Zn\n0.734349 0.862843 0.656018 Zn\n0.752207 0.201952 0.388862 Zn\n0.051133 0.943077 0.171484 Zn\n0.826815 0.490844 0.550986 Zn\n0.184740 0.614197 0.572724 Zn\n0.866837 0.075536 0.598819 Zn\n0.204389 0.393644 0.355441 Zn\n0.630523 0.891087 0.415396 Zn\n0.793947 0.613398 0.260676 Zn\n0.143999 0.322255 0.153043 Zn\n0.931185 0.550743 0.380355 Zn\n0.249599 0.893777 0.151908 Zn\n0.674025 0.385737 0.606078 Zn\n0.028423 0.490914 0.143888 Zn\n0.202926 0.865466 0.525963 Zn\n0.472094 0.162665 0.501230 Zn\n0.107351 0.597091 0.837173 Zn\n0.216538 0.784757 0.822935 Zn\n0.123503 0.351236 0.735491 Zn\n0.029566 0.702584 0.712717 Zn\n0.644500 0.014994 0.157132 Zn\n0.879872 0.886116 0.960140 Zn\n0.009680 0.105797 0.782136 Zn\n0.351640 0.543810 0.787249 Zn\n0.385877 0.493712 0.180854 Zn\n0.835170 0.959380 0.318487 Zn\n0.558616 0.876786 0.075399 S\n0.516336 0.007839 0.620560 S\n0.803242 0.572419 0.855150 S\n0.517909 0.492379 0.789707 S\n0.567839 0.485162 0.143176 S\n0.713514 0.330529 0.280764 S\n0.578560 0.778946 0.823124 S\n0.025186 0.958244 0.332239 S\n0.000280 0.266320 0.248433 S\n0.572477 0.502590 0.002406 S\n0.412842 0.239567 0.633337 S\n0.236896 0.471351 0.665584 S\n0.005986 0.972244 0.657878 S\n0.624222 0.191896 0.840508 S\n0.060824 0.823881 0.406199 S\n0.146475 0.225497 0.018396 S\n0.100027 0.770553 0.157531 S\n0.530516 0.154944 0.107760 S\n0.837941 0.327686 0.016012 S\n0.902339 0.119486 0.450413 S\n0.269736 0.694318 0.447753 S\n0.171473 0.182560 0.765815 S\n0.227040 0.039904 0.511887 S\n0.145694 0.308649 0.477243 S\n0.305944 0.352475 0.238143 S\n0.875322 0.227621 0.712113 S\n0.056263 0.429854 0.866671 S\n0.778508 0.798043 0.375530 S\n0.279106 0.638040 0.896939 S\n0.344380 0.660040 0.197774 S\n0.198871 0.770980 0.659500 S\n0.866730 0.586373 0.115777 S\n0.478637 0.845071 0.327814 S\n0.662580 0.044591 0.328413 S\n0.081465 0.525767 0.304642 S\n0.639932 0.236070 0.502692 S\n0.175792 0.929580 0.902178 S\n0.613341 0.621784 0.218916 S\n0.986857 0.601535 0.538173 S\n0.573384 0.869820 0.567930 S\n0.822773 0.993184 0.150934 S\n0.714788 0.646789 0.619895 S\n0.386479 0.131430 0.357767 S\n0.302500 0.900121 0.000524 S\n0.945257 0.359231 0.654328 S\n0.915099 0.834100 0.642101 S\n0.704635 0.881727 0.814951 S\n0.919388 0.061017 0.912251 S\n0.565751 0.579172 0.417367 S\n0.570693 0.586429 0.566085 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4060599719097584,"density_atomic":0.04208665407171274,"volume":2376.050132890273,"volume_molar":14.308908353081929,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-330.96237632,"energy_per_atom":-3.3096237632,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-305.81237632,"band_gap":0.907,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.372000Z","spacegroup":1},{"id":"mp-555410","created_at":"2022-09-04T14:45:15.466417Z","structure_string":"Zn4 S4\n1.0\n12.635073 -1.924264 0.000000\n12.635073 1.924264 0.000000\n12.342017 0.000000 3.320014\nZn S\n4 4\ndirect\n0.416656 0.416656 0.416656 Zn\n0.000033 0.000033 0.000033 Zn\n0.583373 0.583373 0.583373 Zn\n0.833322 0.833322 0.833322 Zn\n0.645914 0.645914 0.645914 S\n0.895842 0.895842 0.895842 S\n0.479121 0.479121 0.479121 S\n0.062506 0.062506 0.062506 S\n","nsites":8,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":4.010380279932416,"density_atomic":0.04955388012234505,"volume":161.4404357488972,"volume_molar":12.152712855444937,"formula_full":"Zn4 S4","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-30.05544409,"energy_per_atom":-3.75693051125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.04344409,"band_gap":2.064,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000273,"is_theoretical":true,"updated_at":"2021-11-28T01:36:56.857000Z","spacegroup":160},{"id":"mp-557151","created_at":"2022-09-04T14:44:57.861823Z","structure_string":"Zn8 S8\n1.0\n25.179718 -1.927487 0.000000\n25.179718 1.927487 0.000000\n25.032170 0.000000 3.335243\nZn S\n8 8\ndirect\n0.708324 0.708324 0.708324 Zn\n0.416642 0.416642 0.416642 Zn\n0.999990 0.999990 0.999990 Zn\n0.124992 0.124992 0.124992 Zn\n0.249988 0.249988 0.249988 Zn\n0.499989 0.499989 0.499989 Zn\n0.874987 0.874987 0.874987 Zn\n0.624974 0.624974 0.624974 Zn\n0.843763 0.843763 0.843763 S\n0.385431 0.385431 0.385431 S\n0.093744 0.093744 0.093744 S\n0.218765 0.218765 0.218765 S\n0.468784 0.468784 0.468784 S\n0.677117 0.677117 0.677117 S\n0.593763 0.593763 0.593763 S\n0.968741 0.968741 0.968741 S\n","nsites":16,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.999706062511964,"density_atomic":0.049421985176347105,"volume":323.74255997424905,"volume_molar":12.185145413547938,"formula_full":"Zn8 S8","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-59.99420575,"energy_per_atom":-3.749637859375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.97020575,"band_gap":2.0574,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":4.19e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:41.335000Z","spacegroup":160},{"id":"mp-556543","created_at":"2022-09-04T14:40:54.689740Z","structure_string":"Zn22 S22\n1.0\n1.926613 -3.336992 0.000000\n1.926613 3.336992 0.000000\n0.000000 0.000000 69.248381\nZn S\n22 22\ndirect\n0.000000 0.000000 0.363601 Zn\n0.000000 0.000000 0.636396 Zn\n0.333333 0.666667 0.818195 Zn\n0.666667 0.333333 0.318169 Zn\n0.666667 0.333333 0.954526 Zn\n0.666667 0.333333 0.045479 Zn\n0.333333 0.666667 0.545468 Zn\n0.333333 0.666667 0.272719 Zn\n0.333333 0.666667 0.136397 Zn\n0.000000 0.000000 0.909093 Zn\n0.666667 0.333333 0.727296 Zn\n0.666667 0.333333 0.590904 Zn\n0.666667 0.333333 0.181821 Zn\n0.333333 0.666667 0.681821 Zn\n0.000000 0.000000 0.090904 Zn\n0.333333 0.666667 0.409095 Zn\n0.000000 0.000000 0.772720 Zn\n0.666667 0.333333 0.454520 Zn\n0.333333 0.666667 0.999995 Zn\n0.000000 0.000000 0.227296 Zn\n0.666667 0.333333 0.863615 Zn\n0.000000 0.000000 0.499999 Zn\n0.666667 0.333333 0.761378 S\n0.666667 0.333333 0.079536 S\n0.000000 0.000000 0.534093 S\n0.333333 0.666667 0.306799 S\n0.666667 0.333333 0.988580 S\n0.666667 0.333333 0.488606 S\n0.000000 0.000000 0.943202 S\n0.000000 0.000000 0.261378 S\n0.000000 0.000000 0.125001 S\n0.333333 0.666667 0.170475 S\n0.000000 0.000000 0.670473 S\n0.000000 0.000000 0.397699 S\n0.666667 0.333333 0.897681 S\n0.666667 0.333333 0.352238 S\n0.333333 0.666667 0.579536 S\n0.666667 0.333333 0.215907 S\n0.333333 0.666667 0.443178 S\n0.333333 0.666667 0.715908 S\n0.333333 0.666667 0.852277 S\n0.333333 0.666667 0.034117 S\n0.000000 0.000000 0.806806 S\n0.666667 0.333333 0.625001 S\n","nsites":44,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9991831591285445,"density_atomic":0.04941552397073346,"volume":890.4084478808556,"volume_molar":12.186738652344628,"formula_full":"Zn22 S22","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-165.46674834,"energy_per_atom":-3.760607916818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.40074834,"band_gap":2.0163,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.39e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.544000Z","spacegroup":156},{"id":"mp-1245222","created_at":"2022-09-04T14:45:14.951336Z","structure_string":"Zn50 S50\n1.0\n13.738424 -0.462886 0.089898\n-0.444030 13.681891 -0.361338\n0.075668 -0.367714 12.890319\nZn S\n50 50\ndirect\n0.317209 0.703819 0.329638 Zn\n0.491093 0.458333 0.390412 Zn\n0.865159 0.987323 0.725052 Zn\n0.615262 0.197377 0.178458 Zn\n0.251393 0.006439 0.415470 Zn\n0.504977 0.956005 0.235787 Zn\n0.763437 0.989203 0.270047 Zn\n0.287402 0.100936 0.256989 Zn\n0.660375 0.449311 0.763465 Zn\n0.768911 0.739730 0.166561 Zn\n0.558274 0.187384 0.952336 Zn\n0.601248 0.777450 0.973198 Zn\n0.137818 0.337965 0.524369 Zn\n0.738322 0.236446 0.916179 Zn\n0.739091 0.903468 0.821812 Zn\n0.537798 0.584524 0.129770 Zn\n0.299554 0.705295 0.856213 Zn\n0.120097 0.107399 0.657421 Zn\n0.278814 0.193709 0.956961 Zn\n0.892897 0.535267 0.772255 Zn\n0.376378 0.947129 0.975810 Zn\n0.219231 0.937956 0.756644 Zn\n0.618401 0.528727 0.601220 Zn\n0.384131 0.780983 0.640954 Zn\n0.812995 0.658768 0.485941 Zn\n0.076547 0.705750 0.052048 Zn\n0.514829 0.455479 0.900624 Zn\n0.873496 0.159136 0.436362 Zn\n0.898438 0.284312 0.720147 Zn\n0.478887 0.359352 0.738084 Zn\n0.760582 0.625265 0.718897 Zn\n0.400426 0.145837 0.686911 Zn\n0.912020 0.127915 0.144636 Zn\n0.458101 0.260732 0.115672 Zn\n0.524268 0.665989 0.695157 Zn\n0.498353 0.848419 0.771790 Zn\n0.662648 0.106714 0.787670 Zn\n0.311151 0.468420 0.398341 Zn\n0.093035 0.559337 0.870299 Zn\n0.215707 0.876210 0.230831 Zn\n0.938534 0.526153 0.113602 Zn\n0.567720 0.725651 0.414758 Zn\n0.285151 0.462082 0.061246 Zn\n0.979988 0.736537 0.307574 Zn\n0.050231 0.598914 0.565067 Zn\n0.117279 0.470439 0.278119 Zn\n0.006550 0.089417 0.888352 Zn\n0.086697 0.294882 0.059631 Zn\n0.667025 0.239902 0.609790 Zn\n0.437809 0.546001 0.550896 Zn\n0.433370 0.794103 0.939960 S\n0.817957 0.242286 0.077707 S\n0.972921 0.717245 0.490557 S\n0.248276 0.019701 0.914345 S\n0.266626 0.540917 0.236515 S\n0.042247 0.984794 0.748881 S\n0.060932 0.825582 0.175677 S\n0.864518 0.623216 0.235973 S\n0.680995 0.072896 0.601856 S\n0.046435 0.242179 0.623442 S\n0.953258 0.609578 0.963833 S\n0.686137 0.931272 0.005110 S\n0.228659 0.772027 0.716563 S\n0.456410 0.440999 0.067861 S\n0.658167 0.742903 0.788415 S\n0.002355 0.391286 0.179255 S\n0.803348 0.903588 0.102061 S\n0.742077 0.313136 0.196112 S\n0.409033 0.701181 0.480105 S\n0.198427 0.354266 0.944915 S\n0.554561 0.800849 0.253121 S\n0.797885 0.395763 0.841865 S\n0.355881 0.960113 0.160951 S\n0.782368 0.834711 0.342081 S\n0.293049 0.221254 0.135960 S\n0.271596 0.047176 0.613691 S\n0.439319 0.706716 0.197402 S\n0.491286 0.302051 0.312247 S\n0.614419 0.570167 0.333393 S\n0.047931 0.505693 0.707930 S\n0.668520 0.649634 0.045790 S\n0.867685 0.153608 0.822544 S\n0.537736 0.003107 0.846393 S\n0.920325 0.062940 0.300237 S\n0.140947 0.490573 0.458436 S\n0.250338 0.298629 0.386595 S\n0.714405 0.795090 0.482803 S\n0.620313 0.069568 0.289920 S\n0.505511 0.255299 0.596044 S\n0.357001 0.472287 0.697471 S\n0.409975 0.578083 0.809539 S\n0.223059 0.828311 0.395583 S\n0.801799 0.346289 0.594588 S\n0.209763 0.623274 0.983390 S\n0.710361 0.517677 0.441270 S\n0.822505 0.042961 0.559309 S\n0.379201 0.220396 0.385595 S\n0.839670 0.315414 0.439240 S\n0.417378 0.226565 0.849423 S\n0.054714 0.125297 0.051167 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.346384208538149,"density_atomic":0.041349276212779125,"volume":2418.4220174836987,"volume_molar":14.564077806370014,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-330.10597963,"energy_per_atom":-3.3010597962999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.95597963,"band_gap":0.4752,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:07.125000Z","spacegroup":1},{"id":"mp-1244921","created_at":"2022-09-04T14:48:31.120321Z","structure_string":"Zn50 S50\n1.0\n13.017788 -0.051732 -0.773331\n-0.003545 14.269960 0.920065\n-0.764031 0.924506 13.003908\nZn S\n50 50\ndirect\n0.407023 0.289109 0.090411 Zn\n0.503683 0.311117 0.457761 Zn\n0.526822 0.372910 0.194750 Zn\n0.049332 0.844098 0.067791 Zn\n0.571577 0.065342 0.580597 Zn\n0.578076 0.729617 0.028324 Zn\n0.665969 0.952252 0.174232 Zn\n0.873768 0.329562 0.414692 Zn\n0.700310 0.968217 0.727426 Zn\n0.291948 0.837191 0.035880 Zn\n0.522957 0.988793 0.351958 Zn\n0.909474 0.241037 0.896158 Zn\n0.250393 0.605641 0.640273 Zn\n0.838465 0.705720 0.215136 Zn\n0.774426 0.422061 0.753619 Zn\n0.586021 0.384763 0.913148 Zn\n0.393321 0.687368 0.049141 Zn\n0.840977 0.099548 0.580166 Zn\n0.983841 0.194823 0.167352 Zn\n0.488447 0.693935 0.860075 Zn\n0.187772 0.948875 0.292526 Zn\n0.276690 0.867312 0.691972 Zn\n0.735929 0.542889 0.939367 Zn\n0.963620 0.104085 0.374976 Zn\n0.537608 0.570552 0.366494 Zn\n0.989550 0.854991 0.312730 Zn\n0.748229 0.915905 0.931587 Zn\n0.997704 0.452868 0.438961 Zn\n0.599953 0.579952 0.648679 Zn\n0.257786 0.105632 0.862744 Zn\n0.103810 0.877921 0.464301 Zn\n0.393110 0.261540 0.733844 Zn\n0.731272 0.117539 0.332492 Zn\n0.145434 0.109231 0.008566 Zn\n0.669801 0.764524 0.820819 Zn\n0.558718 0.896321 0.836710 Zn\n0.725370 0.783006 0.381428 Zn\n0.164807 0.659117 0.339314 Zn\n0.320040 0.448235 0.900056 Zn\n0.249394 0.227051 0.279581 Zn\n0.921605 0.643426 0.714993 Zn\n0.296123 0.827136 0.419482 Zn\n0.017863 0.443378 0.731491 Zn\n0.995670 0.920380 0.693685 Zn\n0.597726 0.888420 0.569951 Zn\n0.810947 0.344258 0.024068 Zn\n0.813885 0.576390 0.510754 Zn\n0.217826 0.637591 0.893607 Zn\n0.119111 0.215839 0.815005 Zn\n0.273158 0.432120 0.431402 Zn\n0.359885 0.984436 0.932096 S\n0.639172 0.187008 0.456162 S\n0.679002 0.424334 0.068587 S\n0.324491 0.710993 0.760747 S\n0.326085 0.281627 0.424149 S\n0.808183 0.865305 0.249633 S\n0.413155 0.029928 0.470707 S\n0.136472 0.957439 0.608004 S\n0.951261 0.100161 0.019884 S\n0.588263 0.420414 0.350619 S\n0.179224 0.508214 0.779726 S\n0.880433 0.524731 0.842500 S\n0.022039 0.765435 0.772269 S\n0.576913 0.549729 0.824866 S\n0.177520 0.716697 0.502565 S\n0.982985 0.319732 0.037768 S\n0.181988 0.951378 0.105846 S\n0.423202 0.319438 0.898757 S\n0.604394 0.892534 0.026483 S\n0.765351 0.247036 0.541046 S\n0.462289 0.613828 0.515289 S\n0.970388 0.287301 0.737935 S\n0.107807 0.115328 0.296123 S\n0.241468 0.192620 0.698090 S\n0.254351 0.215809 0.111073 S\n0.985311 0.553138 0.580791 S\n0.416451 0.645580 0.238246 S\n0.677884 0.739697 0.650177 S\n0.310026 0.539910 0.026288 S\n0.366056 0.503020 0.571576 S\n0.310304 0.742642 0.275644 S\n0.016635 0.729982 0.209892 S\n0.567662 0.835541 0.404330 S\n0.910106 0.957797 0.011490 S\n0.813991 0.742038 0.576386 S\n0.846092 0.010923 0.447579 S\n0.876603 0.018508 0.738821 S\n0.737454 0.627885 0.341935 S\n0.130740 0.500469 0.339755 S\n0.702918 0.474481 0.591369 S\n0.758471 0.667427 0.048697 S\n0.401247 0.893390 0.553591 S\n0.552034 0.152739 0.713483 S\n0.112619 0.762894 0.920566 S\n0.825618 0.757712 0.934737 S\n0.590996 0.079510 0.220382 S\n0.399214 0.960837 0.787456 S\n0.727646 0.293164 0.863175 S\n0.533837 0.297228 0.645611 S\n0.852674 0.230737 0.278099 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.377444643154488,"density_atomic":0.04173307150052973,"volume":2396.181167703668,"volume_molar":14.430140278372658,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-332.01503896,"energy_per_atom":-3.3201503896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.86503896,"band_gap":1.0343,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.620000Z","spacegroup":1},{"id":"mp-556989","created_at":"2022-09-04T14:46:18.858949Z","structure_string":"Zn18 S18\n1.0\n1.926789 -3.337297 0.000000\n1.926789 3.337297 0.000000\n0.000000 0.000000 56.702374\nZn S\n18 18\ndirect\n0.000000 0.000000 0.166668 Zn\n0.000000 0.000000 0.555561 Zn\n0.666667 0.333333 0.277777 Zn\n0.666667 0.333333 0.722219 Zn\n0.000000 0.000000 0.777784 Zn\n0.000000 0.000000 0.444455 Zn\n0.000000 0.000000 0.666674 Zn\n0.333333 0.666667 0.055561 Zn\n0.333333 0.666667 0.611106 Zn\n0.666667 0.333333 0.111112 Zn\n0.333333 0.666667 0.222223 Zn\n0.666667 0.333333 0.944438 Zn\n0.333333 0.666667 0.388896 Zn\n0.000000 0.000000 0.333326 Zn\n0.333333 0.666667 0.833327 Zn\n0.000000 0.000000 0.000013 Zn\n0.666667 0.333333 0.499997 Zn\n0.000000 0.000000 0.888898 Zn\n0.333333 0.666667 0.430601 S\n0.000000 0.000000 0.041669 S\n0.000000 0.000000 0.597185 S\n0.666667 0.333333 0.152779 S\n0.666667 0.333333 0.763921 S\n0.333333 0.666667 0.097227 S\n0.666667 0.333333 0.986142 S\n0.000000 0.000000 0.708298 S\n0.000000 0.000000 0.819407 S\n0.000000 0.000000 0.374967 S\n0.666667 0.333333 0.319440 S\n0.333333 0.666667 0.652810 S\n0.000000 0.000000 0.930522 S\n0.000000 0.000000 0.486076 S\n0.333333 0.666667 0.263890 S\n0.666667 0.333333 0.541699 S\n0.000000 0.000000 0.208332 S\n0.333333 0.666667 0.875032 S\n","nsites":36,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.9953068213843945,"density_atomic":0.0493676263743762,"volume":729.2228256427873,"volume_molar":12.198562503960563,"formula_full":"Zn18 S18","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-135.3576793,"energy_per_atom":-3.759935536111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.3036793,"band_gap":2.0305,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.83e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:23.785000Z","spacegroup":156}]}