{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=44","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nsites&page=42","results":[{"id":"mp-652856","created_at":"2022-09-04T14:42:37.599621Z","structure_string":"Tl32 Zn16 C64 N64\n1.0\n0.000000 12.593985 12.593985\n12.593985 0.000000 12.593985\n12.593985 12.593985 0.000000\nTl Zn C N\n32 16 64 64\ndirect\n0.938433 0.184700 0.938433 Tl\n0.433619 0.977025 0.687774 Tl\n0.187774 0.477025 0.933619 Tl\n0.184700 0.938433 0.938433 Tl\n0.938433 0.938433 0.938433 Tl\n0.687774 0.433619 0.977025 Tl\n0.438433 0.438433 0.684700 Tl\n0.684700 0.438433 0.438433 Tl\n0.901581 0.977025 0.433619 Tl\n0.977025 0.433619 0.901581 Tl\n0.401581 0.477025 0.187774 Tl\n0.933619 0.401581 0.187774 Tl\n0.977025 0.901581 0.687774 Tl\n0.477025 0.401581 0.933619 Tl\n0.901581 0.687774 0.977025 Tl\n0.438433 0.684700 0.438433 Tl\n0.438433 0.438433 0.438433 Tl\n0.187774 0.933619 0.401581 Tl\n0.901581 0.433619 0.687774 Tl\n0.401581 0.187774 0.933619 Tl\n0.433619 0.687774 0.901581 Tl\n0.477025 0.187774 0.401581 Tl\n0.933619 0.477025 0.401581 Tl\n0.401581 0.933619 0.477025 Tl\n0.687774 0.977025 0.901581 Tl\n0.938433 0.938433 0.184700 Tl\n0.187774 0.401581 0.477025 Tl\n0.687774 0.901581 0.433619 Tl\n0.433619 0.901581 0.977025 Tl\n0.933619 0.187774 0.477025 Tl\n0.977025 0.687774 0.433619 Tl\n0.477025 0.933619 0.187774 Tl\n0.628761 0.113716 0.628761 Zn\n0.628761 0.628761 0.628761 Zn\n0.628761 0.628761 0.113716 Zn\n0.613716 0.128761 0.128761 Zn\n0.750000 0.750000 0.750000 Zn\n0.128761 0.613716 0.128761 Zn\n0.250000 0.750000 0.250000 Zn\n0.113716 0.628761 0.628761 Zn\n0.250000 0.750000 0.750000 Zn\n0.750000 0.250000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.250000 Zn\n0.128761 0.128761 0.128761 Zn\n0.128761 0.128761 0.613716 Zn\n0.250000 0.250000 0.750000 Zn\n0.750000 0.250000 0.250000 Zn\n0.614241 0.764586 0.064623 C\n0.614241 0.556550 0.764586 C\n0.114241 0.056550 0.564623 C\n0.564623 0.114241 0.056550 C\n0.829729 0.117389 0.764338 C\n0.288543 0.117389 0.829729 C\n0.064623 0.764586 0.556550 C\n0.795860 0.795860 0.795860 C\n0.264586 0.114241 0.564623 C\n0.056550 0.264586 0.564623 C\n0.829729 0.288543 0.117389 C\n0.056550 0.114241 0.264586 C\n0.264586 0.564623 0.056550 C\n0.264338 0.788543 0.617389 C\n0.117389 0.829729 0.288543 C\n0.614241 0.064623 0.556550 C\n0.114241 0.564623 0.264586 C\n0.764338 0.829729 0.117389 C\n0.788543 0.329729 0.617389 C\n0.254391 0.581870 0.581870 C\n0.081870 0.081870 0.754391 C\n0.795860 0.612419 0.795860 C\n0.295860 0.295860 0.112419 C\n0.295860 0.295860 0.295860 C\n0.117389 0.288543 0.764338 C\n0.264338 0.617389 0.329729 C\n0.788543 0.264338 0.329729 C\n0.329729 0.264338 0.617389 C\n0.114241 0.264586 0.056550 C\n0.112419 0.295860 0.295860 C\n0.556550 0.064623 0.764586 C\n0.288543 0.764338 0.117389 C\n0.264338 0.329729 0.788543 C\n0.764586 0.556550 0.064623 C\n0.581870 0.581870 0.254391 C\n0.788543 0.617389 0.264338 C\n0.617389 0.788543 0.329729 C\n0.617389 0.264338 0.788543 C\n0.056550 0.564623 0.114241 C\n0.617389 0.329729 0.264338 C\n0.288543 0.829729 0.764338 C\n0.795860 0.795860 0.612419 C\n0.764338 0.117389 0.288543 C\n0.081870 0.754391 0.081870 C\n0.064623 0.556550 0.614241 C\n0.612419 0.795860 0.795860 C\n0.581870 0.581870 0.581870 C\n0.564623 0.056550 0.264586 C\n0.581870 0.254391 0.581870 C\n0.764586 0.064623 0.614241 C\n0.829729 0.764338 0.288543 C\n0.064623 0.614241 0.764586 C\n0.117389 0.764338 0.829729 C\n0.564623 0.264586 0.114241 C\n0.295860 0.112419 0.295860 C\n0.764586 0.614241 0.556550 C\n0.081870 0.081870 0.081870 C\n0.556550 0.614241 0.064623 C\n0.329729 0.788543 0.264338 C\n0.556550 0.764586 0.614241 C\n0.754391 0.081870 0.081870 C\n0.329729 0.617389 0.788543 C\n0.764338 0.288543 0.829729 C\n0.264586 0.056550 0.114241 C\n0.554897 0.335310 0.554897 N\n0.774641 0.309147 0.876270 N\n0.597667 0.520044 0.844503 N\n0.822832 0.531503 0.822832 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N\n","nsites":176,"nelements":4,"elements":["Tl","Zn","C","N"],"chemical_system":"C-N-Tl-Zn","density":3.8455778330709647,"density_atomic":0.044054792196323425,"volume":3995.025086389762,"volume_molar":13.66966102839222,"formula_full":"Tl32 Zn16 C64 N64","formula_reduced":"Tl2Zn(CN)4","formula_anonymous":"AB2C4D4","energy":-1198.79832987,"energy_per_atom":-6.811354146988637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1175.69432987,"band_gap":4.7266,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034957,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.798000Z","spacegroup":219},{"id":"mp-1198276","created_at":"2022-09-04T14:40:29.823018Z","structure_string":"Ag16 Sb48 Pb16 S96\n1.0\n0.026455 0.000000 -13.257310\n0.000000 -17.279359 0.000000\n-19.461453 0.000000 0.041630\nAg Sb Pb S\n16 48 16 96\ndirect\n0.650674 0.313672 0.643943 Ag\n0.849326 0.813672 0.356057 Ag\n0.349326 0.686328 0.356057 Ag\n0.150674 0.186328 0.643943 Ag\n0.165795 0.678039 0.856868 Ag\n0.334205 0.178039 0.143132 Ag\n0.834205 0.321961 0.143132 Ag\n0.665795 0.821961 0.856868 Ag\n0.674598 0.552343 0.644394 Ag\n0.825402 0.052343 0.355606 Ag\n0.325402 0.447657 0.355606 Ag\n0.174598 0.947657 0.644394 Ag\n0.165591 0.432818 0.866921 Ag\n0.334409 0.932818 0.133079 Ag\n0.834409 0.567182 0.133079 Ag\n0.665591 0.067182 0.866921 Ag\n0.153570 0.189828 0.876968 Sb\n0.346430 0.689828 0.123032 Sb\n0.846430 0.810172 0.123032 Sb\n0.653570 0.310172 0.876968 Sb\n0.114128 0.800423 0.044213 Sb\n0.385872 0.300423 0.955787 Sb\n0.885872 0.199577 0.955787 Sb\n0.614128 0.699577 0.044213 Sb\n0.375961 0.316597 0.553925 Sb\n0.124039 0.816597 0.446075 Sb\n0.624039 0.683403 0.446075 Sb\n0.875961 0.183403 0.553925 Sb\n0.874676 0.685422 0.552353 Sb\n0.625324 0.185422 0.447647 Sb\n0.125324 0.314578 0.447647 Sb\n0.374676 0.814578 0.552353 Sb\n0.365562 0.828157 0.941640 Sb\n0.134438 0.328157 0.058360 Sb\n0.634438 0.171843 0.058360 Sb\n0.865562 0.671843 0.941640 Sb\n0.125908 0.689944 0.636501 Sb\n0.374092 0.189944 0.363499 Sb\n0.874092 0.310056 0.363499 Sb\n0.625908 0.810056 0.636501 Sb\n0.622581 0.567112 0.851555 Sb\n0.877419 0.067112 0.148445 Sb\n0.377419 0.432888 0.148445 Sb\n0.122581 0.932888 0.851555 Sb\n0.376385 0.564440 0.939332 Sb\n0.123615 0.064440 0.060668 Sb\n0.623615 0.435560 0.060668 Sb\n0.876385 0.935560 0.939332 Sb\n0.147341 0.433841 0.627153 Sb\n0.352659 0.933841 0.372847 Sb\n0.852659 0.566159 0.372847 Sb\n0.647341 0.066159 0.627153 Sb\n0.868098 0.420808 0.559633 Sb\n0.631902 0.920808 0.440367 Sb\n0.131902 0.579192 0.440367 Sb\n0.368098 0.079192 0.559633 Sb\n0.381248 0.063269 0.954767 Sb\n0.118752 0.563269 0.045233 Sb\n0.618752 0.936731 0.045233 Sb\n0.881248 0.436731 0.954767 Sb\n0.619842 0.447138 0.454627 Sb\n0.880158 0.947138 0.545373 Sb\n0.380158 0.552862 0.545373 Sb\n0.119842 0.052862 0.454627 Sb\n0.927519 0.325126 0.756575 Pb\n0.572481 0.825126 0.243425 Pb\n0.072481 0.674874 0.243425 Pb\n0.427519 0.174874 0.756575 Pb\n0.897458 0.807662 0.750249 Pb\n0.602542 0.307662 0.249751 Pb\n0.102542 0.192338 0.249751 Pb\n0.397458 0.692338 0.750249 Pb\n0.912629 0.567960 0.743843 Pb\n0.587371 0.067960 0.256157 Pb\n0.087371 0.432040 0.256157 Pb\n0.412629 0.932040 0.743843 Pb\n0.412640 0.437420 0.749857 Pb\n0.087360 0.937420 0.250143 Pb\n0.587360 0.562580 0.250143 Pb\n0.912640 0.062580 0.749857 Pb\n0.474345 0.200276 0.600264 S\n0.025655 0.700276 0.399736 S\n0.525655 0.799724 0.399736 S\n0.974345 0.299724 0.600264 S\n0.208125 0.699103 0.983787 S\n0.291875 0.199103 0.016213 S\n0.791875 0.300897 0.016213 S\n0.708125 0.800897 0.983787 S\n0.492682 0.669599 0.893646 S\n0.007318 0.169599 0.106354 S\n0.507318 0.330401 0.106354 S\n0.992682 0.830401 0.893646 S\n0.281574 0.293145 0.845779 S\n0.218426 0.793145 0.154221 S\n0.718426 0.706855 0.154221 S\n0.781574 0.206855 0.845779 S\n0.510061 0.148758 0.905934 S\n0.989939 0.648758 0.094066 S\n0.489939 0.851242 0.094066 S\n0.010061 0.351242 0.905934 S\n0.734369 0.335443 0.504076 S\n0.765631 0.835443 0.495924 S\n0.265631 0.664557 0.495924 S\n0.234369 0.164557 0.504076 S\n0.280398 0.813235 0.828884 S\n0.219602 0.313235 0.171116 S\n0.719602 0.186765 0.171116 S\n0.780398 0.686765 0.828884 S\n0.065520 0.190045 0.765875 S\n0.434480 0.690045 0.234125 S\n0.934480 0.809955 0.234125 S\n0.565520 0.309955 0.765875 S\n0.996196 0.788445 0.591970 S\n0.503804 0.288445 0.408030 S\n0.003804 0.211555 0.408030 S\n0.496196 0.711555 0.591970 S\n0.772629 0.687507 0.658437 S\n0.727371 0.187507 0.341563 S\n0.227371 0.312493 0.341563 S\n0.272629 0.812493 0.658437 S\n0.050933 0.694643 0.755474 S\n0.449067 0.194643 0.244526 S\n0.949067 0.305357 0.244526 S\n0.550933 0.805357 0.755474 S\n0.259698 0.321028 0.658788 S\n0.240302 0.821028 0.341212 S\n0.740302 0.678972 0.341212 S\n0.759698 0.178972 0.658788 S\n0.498692 0.462316 0.901990 S\n0.001308 0.962316 0.098010 S\n0.501308 0.537684 0.098010 S\n0.998692 0.037684 0.901990 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S\n0.228118 0.052159 0.163289 S\n0.728118 0.447841 0.163289 S\n0.771882 0.947841 0.836711 S\n0.541904 0.563933 0.733412 S\n0.958096 0.063933 0.266588 S\n0.458096 0.436067 0.266588 S\n0.041904 0.936067 0.733412 S\n0.786266 0.428446 0.671489 S\n0.713734 0.928446 0.328511 S\n0.213734 0.571554 0.328511 S\n0.286266 0.071554 0.671489 S\n","nsites":176,"nelements":4,"elements":["Ag","Sb","Pb","S"],"chemical_system":"Ag-Pb-S-Sb","density":5.201116939925757,"density_atomic":0.03947809797428976,"volume":4458.168175037728,"volume_molar":15.254384251039498,"formula_full":"Ag16 Sb48 Pb16 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0.478932 Si\n0.658015 0.842399 0.978932 Si\n0.158015 0.157601 0.521068 Si\n0.344338 0.780479 0.415584 Si\n0.844338 0.219521 0.084416 Si\n0.655662 0.219521 0.584416 Si\n0.155662 0.780479 0.915584 Si\n0.438098 0.250181 0.919546 P\n0.938098 0.749819 0.580454 P\n0.561902 0.749819 0.080454 P\n0.061902 0.250181 0.419546 P\n0.438049 0.663364 0.492678 P\n0.938049 0.336636 0.007322 P\n0.561951 0.336636 0.507322 P\n0.061951 0.663364 0.992678 P\n0.287909 0.005018 0.919283 H\n0.787909 0.994982 0.580717 H\n0.712091 0.994982 0.080717 H\n0.212091 0.005018 0.419283 H\n0.309621 0.067381 0.857792 H\n0.809621 0.932619 0.642208 H\n0.690379 0.932619 0.142208 H\n0.190379 0.067381 0.357792 H\n0.412788 0.020767 0.892488 H\n0.912788 0.979233 0.607512 H\n0.587212 0.979233 0.107512 H\n0.087212 0.020767 0.392488 H\n0.205415 0.250199 0.123083 H\n0.705415 0.749801 0.376917 H\n0.794585 0.749801 0.876917 H\n0.294585 0.250199 0.623083 H\n0.171261 0.214565 0.010293 H\n0.671261 0.785435 0.489707 H\n0.828739 0.785435 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