{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=chemical_system&page=97","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=chemical_system&page=95","results":[{"id":"mp-1096652","created_at":"2022-09-04T14:41:31.743730Z","structure_string":"Ca1 Tl1 Ag2\n1.0\n-5.848400 6.306502 8.917205\n5.848400 -6.306502 8.917205\n5.848400 6.306502 -8.917205\nCa Tl Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.249996 0.249996 Ag\n0.000000 0.750004 0.750004 Ag\n","nsites":4,"nelements":3,"elements":["Ca","Tl","Ag"],"chemical_system":"Ag-Ca-Tl","density":0.5808703285431025,"density_atomic":0.0030405044466783483,"volume":1315.5711725302258,"volume_molar":198.06386951938163,"formula_full":"Ca1 Tl1 Ag2","formula_reduced":"CaTlAg2","formula_anonymous":"ABC2","energy":-6.06431635,"energy_per_atom":-1.5160790875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.06431635,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.9e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.615000Z","spacegroup":71},{"id":"mp-1096336","created_at":"2022-09-04T14:44:01.049419Z","structure_string":"Ca1 Y1 Ag2\n1.0\n-5.986376 6.308494 8.912941\n5.986376 -6.308494 8.912941\n5.986376 6.308494 -8.912941\nCa Y Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.250402 0.250402 Ag\n0.000000 0.749598 0.749598 Ag\n","nsites":4,"nelements":3,"elements":["Ca","Y","Ag"],"chemical_system":"Ag-Ca-Y","density":0.42515293846562935,"density_atomic":0.002970908544946152,"volume":1346.3894763116987,"volume_molar":202.70367360329337,"formula_full":"Ca1 Y1 Ag2","formula_reduced":"CaYAg2","formula_anonymous":"ABC2","energy":-7.77821383,"energy_per_atom":-1.9445534575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.77821383,"band_gap":0.0760999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9997616,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.631000Z","spacegroup":71},{"id":"mp-1227017","created_at":"2022-09-04T14:42:43.627855Z","structure_string":"Ca4 Zn1 Ag3\n1.0\n4.071631 0.000000 0.000000\n0.000000 4.668097 0.000000\n0.000000 0.000000 11.424333\nCa Zn Ag\n4 1 3\ndirect\n0.500000 0.500000 0.143799 Ca\n0.000000 0.500000 0.642065 Ca\n0.000000 0.000000 0.357999 Ca\n0.500000 0.000000 0.856792 Ca\n0.500000 0.500000 0.429536 Zn\n0.000000 0.500000 0.925490 Ag\n0.000000 0.000000 0.074519 Ag\n0.500000 0.000000 0.569800 Ag\n","nsites":8,"nelements":3,"elements":["Ca","Zn","Ag"],"chemical_system":"Ag-Ca-Zn","density":4.200875382601514,"density_atomic":0.03684264906348834,"volume":217.1396520976047,"volume_molar":16.34556936886506,"formula_full":"Ca4 Zn1 Ag3","formula_reduced":"Ca4ZnAg3","formula_anonymous":"AB3C4","energy":-20.27376206,"energy_per_atom":-2.5342202575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.27376206,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0668925,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.369000Z","spacegroup":25},{"id":"mp-1227020","created_at":"2022-09-04T14:40:08.467638Z","structure_string":"Ca2 Zn2 Ag2\n1.0\n2.329819 5.354634 0.000000\n-2.329819 5.354634 0.000000\n0.000000 4.946517 5.442014\nCa Zn Ag\n2 2 2\ndirect\n0.451681 0.451681 0.300144 Ca\n0.548319 0.548319 0.699856 Ca\n0.159429 0.159429 0.895321 Zn\n0.840571 0.840571 0.104679 Zn\n0.829570 0.829570 0.731228 Ag\n0.170430 0.170430 0.268772 Ag\n","nsites":6,"nelements":3,"elements":["Ca","Zn","Ag"],"chemical_system":"Ag-Ca-Zn","density":5.218440078394002,"density_atomic":0.04418853729917198,"volume":135.78181960126636,"volume_molar":13.628287171462553,"formula_full":"Ca2 Zn2 Ag2","formula_reduced":"CaZnAg","formula_anonymous":"ABC","energy":-14.101278230000002,"energy_per_atom":-2.3502130383333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.101278230000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001748,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.355000Z","spacegroup":12},{"id":"mp-1096168","created_at":"2022-09-04T14:41:12.378227Z","structure_string":"Ca2 Zn1 Ag1\n1.0\n-6.215381 6.282232 8.781065\n6.215381 -6.282232 8.781065\n6.215381 6.282232 -8.781065\nCa Zn Ag\n2 1 1\ndirect\n0.739756 0.000000 0.739756 Ca\n0.260244 0.000000 0.260244 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n","nsites":4,"nelements":3,"elements":["Ca","Zn","Ag"],"chemical_system":"Ag-Ca-Zn","density":0.3068482812232494,"density_atomic":0.002916561116900331,"volume":1371.4782031556153,"volume_molar":206.4808697168748,"formula_full":"Ca2 Zn1 Ag1","formula_reduced":"Ca2ZnAg","formula_anonymous":"ABC2","energy":-3.56283827,"energy_per_atom":-0.8907095675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.56283827,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011329,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.346000Z","spacegroup":71},{"id":"mp-1227685","created_at":"2022-09-04T14:40:37.785067Z","structure_string":"Ca2 Zn3 Ag1\n1.0\n2.333582 5.279603 0.000000\n-2.333582 5.279603 0.000000\n0.000000 5.039504 5.327967\nCa Zn Ag\n2 3 1\ndirect\n0.549566 0.549566 0.699117 Ca\n0.450551 0.450551 0.299291 Ca\n0.829633 0.829633 0.734652 Zn\n0.842110 0.842110 0.096700 Zn\n0.166134 0.166134 0.891010 Zn\n0.162007 0.162007 0.279232 Ag\n","nsites":6,"nelements":3,"elements":["Ca","Zn","Ag"],"chemical_system":"Ag-Ca-Zn","density":4.860136588895709,"density_atomic":0.045702019920204416,"volume":131.2852256962817,"volume_molar":13.176968480856292,"formula_full":"Ca2 Zn3 Ag1","formula_reduced":"Ca2Zn3Ag","formula_anonymous":"AB2C3","energy":-12.46887103,"energy_per_atom":-2.078145171666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.46887103,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0106317,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.560000Z","spacegroup":8},{"id":"mp-1201374","created_at":"2022-09-04T14:47:36.915738Z","structure_string":"Cs4 Ca2 Ag4 H8 C12 S12 N12 O4\n1.0\n8.338912 0.000000 0.000000\n0.000000 19.350501 0.000000\n-0.048109 0.000000 8.155751\nCs Ca Ag H C S N O\n4 2 4 8 12 12 12 4\ndirect\n0.752055 0.882738 0.977309 Cs\n0.247945 0.382738 0.522691 Cs\n0.247945 0.117262 0.022691 Cs\n0.752055 0.617262 0.477309 Cs\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.271323 0.782704 0.014888 Ag\n0.728677 0.282704 0.485112 Ag\n0.728677 0.217296 0.985112 Ag\n0.271323 0.717296 0.514888 Ag\n0.663297 0.954901 0.526767 H\n0.336703 0.454901 0.973233 H\n0.336703 0.045099 0.473233 H\n0.663297 0.545099 0.026767 H\n0.662564 0.023299 0.629027 H\n0.337436 0.523299 0.870973 H\n0.337436 0.976701 0.370973 H\n0.662564 0.476701 0.129027 H\n0.185251 0.939419 0.870258 C\n0.814749 0.439419 0.629742 C\n0.814749 0.060581 0.129742 C\n0.185251 0.560581 0.370258 C\n0.016621 0.673243 0.862497 C\n0.983379 0.173243 0.637503 C\n0.983379 0.326757 0.137503 C\n0.016621 0.826757 0.362497 C\n0.524131 0.653114 0.960897 C\n0.475869 0.153114 0.539103 C\n0.475869 0.346886 0.039103 C\n0.524131 0.846886 0.460897 C\n0.297969 0.914589 0.025199 S\n0.702031 0.414589 0.474801 S\n0.702031 0.085411 0.974801 S\n0.297969 0.585411 0.525199 S\n0.063453 0.750752 0.796719 S\n0.936547 0.250752 0.703281 S\n0.936547 0.249248 0.203281 S\n0.063453 0.749248 0.296719 S\n0.523656 0.718812 0.089662 S\n0.476344 0.218812 0.410338 S\n0.476344 0.281188 0.910338 S\n0.523656 0.781188 0.589662 S\n0.102515 0.960090 0.762099 N\n0.897485 0.460090 0.737901 N\n0.897485 0.039910 0.237901 N\n0.102515 0.539910 0.262099 N\n0.980192 0.616966 0.904788 N\n0.019808 0.116966 0.595212 N\n0.019808 0.383034 0.095212 N\n0.980192 0.883034 0.404788 N\n0.529757 0.603806 0.874365 N\n0.470243 0.103806 0.625635 N\n0.470243 0.396194 0.125635 N\n0.529757 0.896194 0.374365 N\n0.729572 0.983602 0.600333 O\n0.270428 0.483602 0.899667 O\n0.270428 0.016398 0.399667 O\n0.729572 0.516398 0.100333 O\n","nsites":58,"nelements":8,"elements":["Cs","Ca","Ag","H","C","S","N","O"],"chemical_system":"Ag-C-Ca-Cs-H-N-O-S","density":2.2867240101699666,"density_atomic":0.04407196667914833,"volume":1316.0293122893788,"volume_molar":13.664334073952823,"formula_full":"Cs4 Ca2 Ag4 H8 C12 S12 N12 O4","formula_reduced":"Cs2CaAg2H4C6S6(N3O)2","formula_anonymous":"AB2C2D2E4F6G6H6","energy":-363.03075768,"energy_per_atom":-6.259150994482759,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-349.91475768,"band_gap":3.2679,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2209889,"is_theoretical":false,"updated_at":"2021-11-28T01:38:17.969000Z","spacegroup":14},{"id":"mp-568978","created_at":"2022-09-04T14:43:22.069207Z","structure_string":"Rb1 Cd1 Ag3 C6 N6\n1.0\n3.642888 -6.309667 0.000000\n3.642888 6.309667 0.000000\n0.000000 0.000000 8.278321\nRb Cd Ag C N\n1 1 3 6 6\ndirect\n0.333333 0.666667 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n0.509657 0.019313 0.500000 Ag\n0.509657 0.490343 0.500000 Ag\n0.980687 0.490343 0.500000 Ag\n0.659194 0.009707 0.707564 C\n0.659194 0.649488 0.292436 C\n0.350512 0.009707 0.292436 C\n0.990293 0.649488 0.707564 C\n0.350512 0.340806 0.707564 C\n0.990293 0.340806 0.292436 C\n0.741505 0.741961 0.173813 N\n0.741505 0.999544 0.826187 N\n0.258039 0.258495 0.826187 N\n0.258039 0.999544 0.173813 N\n0.000456 0.258495 0.173813 N\n0.000456 0.741961 0.826187 N\n","nsites":17,"nelements":5,"elements":["Rb","Cd","Ag","C","N"],"chemical_system":"Ag-C-Cd-N-Rb","density":2.956583565703761,"density_atomic":0.04467086935861361,"volume":380.5612078763359,"volume_molar":13.481136244864208,"formula_full":"Rb1 Cd1 Ag3 C6 N6","formula_reduced":"RbCdAg3(CN)6","formula_anonymous":"ABC3D6E6","energy":-113.77957601,"energy_per_atom":-6.692916235882353,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-111.61357601,"band_gap":2.8025,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0015867,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.884000Z","spacegroup":149},{"id":"mp-1194141","created_at":"2022-09-04T14:41:28.702219Z","structure_string":"Ag2 Sb2 C4 N4 Cl4 F12\n1.0\n7.805005 0.000000 0.000000\n0.000000 9.348960 0.000000\n-4.646806 0.000000 8.177861\nAg Sb C N Cl F\n2 2 4 4 4 12\ndirect\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.390247 0.666494 0.552447 C\n0.390247 0.833506 0.052447 C\n0.609753 0.333506 0.447553 C\n0.609753 0.166494 0.947553 C\n0.266079 0.596032 0.550666 N\n0.266079 0.903968 0.050666 N\n0.733921 0.403968 0.449334 N\n0.733921 0.096032 0.949334 N\n0.560972 0.762207 0.553462 Cl\n0.560972 0.737793 0.053462 Cl\n0.439028 0.237793 0.446538 Cl\n0.439028 0.262207 0.946538 Cl\n0.083245 0.954098 0.343950 F\n0.083245 0.545902 0.843950 F\n0.916755 0.045902 0.656050 F\n0.916755 0.454098 0.156050 F\n0.254555 0.948463 0.677510 F\n0.254555 0.551537 0.177510 F\n0.745445 0.051537 0.322490 F\n0.745445 0.448463 0.822490 F\n0.909358 0.806475 0.489472 F\n0.909358 0.693525 0.989472 F\n0.090642 0.193525 0.510528 F\n0.090642 0.306475 0.010528 F\n","nsites":28,"nelements":6,"elements":["Ag","Sb","C","N","Cl","F"],"chemical_system":"Ag-C-Cl-F-N-Sb","density":2.5966286406047057,"density_atomic":0.04692257309977818,"volume":596.7277186709176,"volume_molar":12.834208275821235,"formula_full":"Ag2 Sb2 C4 N4 Cl4 F12","formula_reduced":"AgSbC2N2(ClF3)2","formula_anonymous":"ABC2D2E2F6","energy":-153.91921835,"energy_per_atom":-5.497114941071429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.47521835,"band_gap":3.1523000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0339608,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.364000Z","spacegroup":14},{"id":"mp-556201","created_at":"2022-09-04T14:40:20.392089Z","structure_string":"Ag2 Sb2 C4 N4 Cl4 F12\n1.0\n8.885760 0.000000 0.000000\n0.000000 7.811020 0.000000\n0.000000 5.410861 9.242905\nAg Sb C N Cl F\n2 2 4 4 4 12\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.169574 0.609151 0.539950 C\n0.830426 0.390849 0.460050 C\n0.169574 0.390849 0.960050 C\n0.830426 0.609151 0.039950 C\n0.092863 0.268462 0.961480 N\n0.907137 0.268462 0.461480 N\n0.092863 0.731538 0.538520 N\n0.907137 0.731538 0.038520 N\n0.269315 0.562950 0.956798 Cl\n0.269315 0.437050 0.543202 Cl\n0.730685 0.437050 0.043202 Cl\n0.730685 0.562950 0.456798 Cl\n0.438766 0.858449 0.405725 F\n0.561234 0.858449 0.905725 F\n0.297298 0.899077 0.013761 F\n0.561234 0.141551 0.594275 F\n0.549892 0.769343 0.180577 F\n0.549892 0.230657 0.319423 F\n0.438766 0.141551 0.094275 F\n0.297298 0.100923 0.486239 F\n0.702702 0.100923 0.986239 F\n0.450108 0.230657 0.819423 F\n0.450108 0.769343 0.680577 F\n0.702702 0.899077 0.513761 F\n","nsites":28,"nelements":6,"elements":["Ag","Sb","C","N","Cl","F"],"chemical_system":"Ag-C-Cl-F-N-Sb","density":2.415323109677272,"density_atomic":0.04364627787014711,"volume":641.5209123514115,"volume_molar":13.797604409513653,"formula_full":"Ag2 Sb2 C4 N4 Cl4 F12","formula_reduced":"AgSbC2N2(ClF3)2","formula_anonymous":"ABC2D2E2F6","energy":-153.17382623999998,"energy_per_atom":-5.470493794285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.72982624,"band_gap":4.2664,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008798,"is_theoretical":true,"updated_at":"2021-11-28T01:34:50.492000Z","spacegroup":13},{"id":"mp-567645","created_at":"2022-09-04T14:39:27.805407Z","structure_string":"Ag8 H48 C24 N12 Cl4\n1.0\n9.043541 0.000000 0.000000\n0.000000 9.051577 0.000000\n0.000000 0.000000 13.672225\nAg H C N Cl\n8 48 24 12 4\ndirect\n0.053378 0.861206 0.639520 Ag\n0.428120 0.411288 0.244888 Ag\n0.071880 0.911288 0.244888 Ag\n0.928120 0.088712 0.744888 Ag\n0.946622 0.138794 0.139520 Ag\n0.446622 0.361206 0.639520 Ag\n0.553378 0.638794 0.139520 Ag\n0.571880 0.588712 0.744888 Ag\n0.987812 0.239636 0.390598 H\n0.929096 0.468756 0.607465 H\n0.012188 0.760364 0.890598 H\n0.636841 0.897141 0.958650 H\n0.596761 0.138097 0.540195 H\n0.764116 0.495035 0.536212 H\n0.487812 0.260364 0.890598 H\n0.164885 0.434016 0.526048 H\n0.687442 0.769794 0.449842 H\n0.096761 0.361903 0.040195 H\n0.049103 0.532767 0.799514 H\n0.583152 0.137367 0.363697 H\n0.863159 0.397141 0.958650 H\n0.776782 0.495002 0.359800 H\n0.977424 0.241299 0.521377 H\n0.450897 0.032767 0.799514 H\n0.735884 0.995035 0.536212 H\n0.235884 0.504965 0.036212 H\n0.429096 0.031244 0.107465 H\n0.674192 0.067370 0.895214 H\n0.903239 0.638097 0.540195 H\n0.950897 0.467233 0.299514 H\n0.325808 0.932630 0.395214 H\n0.083152 0.362633 0.863697 H\n0.403239 0.861903 0.040195 H\n0.223218 0.504998 0.859800 H\n0.264116 0.004965 0.036212 H\n0.335115 0.934016 0.526048 H\n0.022576 0.758701 0.021377 H\n0.416848 0.862633 0.863697 H\n0.664885 0.065984 0.026048 H\n0.363159 0.102859 0.458650 H\n0.825808 0.567370 0.895214 H\n0.070904 0.531244 0.107465 H\n0.312558 0.230206 0.949842 H\n0.916848 0.637367 0.363697 H\n0.276782 0.004998 0.859800 H\n0.136841 0.602859 0.458650 H\n0.835115 0.565984 0.026048 H\n0.174192 0.432630 0.395214 H\n0.723218 0.995002 0.359800 H\n0.512188 0.739636 0.390598 H\n0.522576 0.741299 0.521377 H\n0.570904 0.968756 0.607465 H\n0.549103 0.967233 0.299514 H\n0.812558 0.269794 0.449842 H\n0.187442 0.730206 0.949842 H\n0.477424 0.258701 0.021377 H\n0.067926 0.711821 0.953936 C\n0.382801 0.981304 0.041259 C\n0.395646 0.981790 0.862266 C\n0.120861 0.482861 0.458881 C\n0.342231 0.639716 0.232785 C\n0.604354 0.018210 0.362266 C\n0.432074 0.211821 0.953936 C\n0.617199 0.018696 0.541259 C\n0.870435 0.812299 0.195143 C\n0.932074 0.288179 0.453936 C\n0.882801 0.518696 0.541259 C\n0.842231 0.860284 0.732785 C\n0.879139 0.517139 0.958881 C\n0.629565 0.312299 0.195143 C\n0.104354 0.481790 0.862266 C\n0.370435 0.687701 0.695143 C\n0.620861 0.017139 0.958881 C\n0.129565 0.187701 0.695143 C\n0.567926 0.788179 0.453936 C\n0.117199 0.481304 0.041259 C\n0.379139 0.982861 0.458881 C\n0.657769 0.360284 0.732785 C\n0.157769 0.139716 0.232785 C\n0.895646 0.518210 0.362266 C\n0.238166 0.240346 0.246265 N\n0.258039 0.741831 0.671185 N\n0.761834 0.759654 0.746265 N\n0.457992 0.048129 0.954050 N\n0.738166 0.259654 0.746265 N\n0.758039 0.758169 0.171185 N\n0.042008 0.548129 0.954050 N\n0.542008 0.951871 0.454050 N\n0.261834 0.740346 0.246265 N\n0.741961 0.258169 0.171185 N\n0.957992 0.451871 0.454050 N\n0.241961 0.241831 0.671185 N\n0.503849 0.398531 0.456438 Cl\n0.003849 0.101469 0.956438 Cl\n0.996151 0.898531 0.456438 Cl\n0.496151 0.601469 0.956438 Cl\n","nsites":96,"nelements":5,"elements":["Ag","H","C","N","Cl"],"chemical_system":"Ag-C-Cl-H-N","density":2.239614795293155,"density_atomic":0.08577668816400251,"volume":1119.18520118719,"volume_molar":7.0207196021439335,"formula_full":"Ag8 H48 C24 N12 Cl4","formula_reduced":"Ag2H12C6N3Cl","formula_anonymous":"AB2C3D6E12","energy":-525.9351143,"energy_per_atom":-5.478490773958334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-519.1471143,"band_gap":3.4426,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009958,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.808000Z","spacegroup":33},{"id":"mp-1202475","created_at":"2022-09-04T14:39:34.577140Z","structure_string":"Ag2 H48 C18 S6 N12 Cl2 O8\n1.0\n10.036843 0.000000 0.000000\n-1.058948 10.236707 0.000000\n-2.988439 -0.476201 10.505488\nAg H C S N Cl O\n2 48 18 6 12 2 8\ndirect\n0.533361 0.152745 0.451142 Ag\n0.466639 0.847255 0.548858 Ag\n0.746808 0.886358 0.735680 H\n0.253192 0.113642 0.264320 H\n0.255957 0.278854 0.715753 H\n0.744043 0.721146 0.284247 H\n0.590539 0.119473 0.223424 H\n0.409461 0.880527 0.776576 H\n0.921142 0.203701 0.808320 H\n0.078858 0.796299 0.191680 H\n0.478524 0.505057 0.607896 H\n0.521476 0.494943 0.392104 H\n0.845175 0.329283 0.139999 H\n0.154825 0.670717 0.860001 H\n0.002638 0.015440 0.898586 H\n0.997362 0.984560 0.101414 H\n0.006161 0.030130 0.737578 H\n0.993839 0.969870 0.262422 H\n0.980050 0.872014 0.798609 H\n0.019950 0.127986 0.201391 H\n0.826837 0.394615 0.832127 H\n0.173163 0.605385 0.167873 H\n0.654177 0.314666 0.774045 H\n0.345823 0.685334 0.225955 H\n0.750703 0.360696 0.664482 H\n0.249297 0.639304 0.335518 H\n0.167599 0.072194 0.640503 H\n0.832401 0.927806 0.359497 H\n0.236603 0.087681 0.507861 H\n0.763397 0.912319 0.492139 H\n0.077470 0.154244 0.504952 H\n0.922530 0.845756 0.495048 H\n0.500694 0.552089 0.817200 H\n0.499306 0.447911 0.182800 H\n0.462505 0.382707 0.838231 H\n0.537495 0.617293 0.161769 H\n0.324433 0.483458 0.794332 H\n0.675567 0.516542 0.205668 H\n0.536102 0.124962 0.005506 H\n0.463898 0.875038 0.994494 H\n0.717890 0.119853 0.025021 H\n0.282110 0.880147 0.974979 H\n0.645600 0.272883 0.015579 H\n0.354400 0.727117 0.984421 H\n0.936417 0.503087 0.338816 H\n0.063583 0.496913 0.661184 H\n0.021819 0.365563 0.403851 H\n0.978181 0.634437 0.596149 H\n0.049925 0.431585 0.262333 H\n0.950075 0.568415 0.737667 H\n0.740115 0.081503 0.744524 C\n0.259885 0.918497 0.255476 C\n0.956869 0.973421 0.801120 C\n0.043131 0.026579 0.198880 C\n0.758590 0.324229 0.760106 C\n0.241410 0.675771 0.239894 C\n0.343341 0.339174 0.575052 C\n0.656659 0.660826 0.424948 C\n0.181112 0.137043 0.565218 C\n0.818888 0.862957 0.434782 C\n0.425844 0.465830 0.780901 C\n0.574156 0.534170 0.219099 C\n0.763663 0.247659 0.276522 C\n0.236337 0.752341 0.723478 C\n0.640246 0.173919 0.052049 C\n0.359754 0.826081 0.947951 C\n0.972719 0.410998 0.315255 C\n0.027281 0.589002 0.684745 C\n0.560061 0.067840 0.687361 S\n0.439939 0.932160 0.312639 S\n0.351852 0.318630 0.420237 S\n0.648148 0.681370 0.579763 S\n0.775557 0.240994 0.435367 S\n0.224443 0.759006 0.564633 S\n0.806657 0.973877 0.760828 N\n0.193343 0.026123 0.239172 N\n0.814934 0.198877 0.775006 N\n0.185066 0.801123 0.224994 N\n0.262231 0.257261 0.626006 N\n0.737769 0.742739 0.373994 N\n0.418714 0.441441 0.648006 N\n0.581286 0.558559 0.351994 N\n0.658755 0.177539 0.188567 N\n0.341245 0.822461 0.811433 N\n0.859610 0.321897 0.235439 N\n0.140390 0.678103 0.764561 N\n0.819379 0.676062 0.012120 Cl\n0.180621 0.323938 0.987880 Cl\n0.859229 0.728792 0.145915 O\n0.140771 0.271208 0.854085 O\n0.776312 0.535915 0.009423 O\n0.223688 0.464085 0.990577 O\n0.940974 0.699619 0.963067 O\n0.059026 0.300381 0.036933 O\n0.704777 0.742394 0.936811 O\n0.295223 0.257606 0.063189 O\n","nsites":96,"nelements":7,"elements":["Ag","H","C","S","N","Cl","O"],"chemical_system":"Ag-C-Cl-H-N-O-S","density":1.5994691607548883,"density_atomic":0.08894009691203139,"volume":1079.3781807428363,"volume_molar":6.771007643443834,"formula_full":"Ag2 H48 C18 S6 N12 Cl2 O8","formula_reduced":"AgH24C9S3N6ClO4","formula_anonymous":"ABC3D4E6F9G24","energy":-532.4970723399999,"energy_per_atom":-5.546844503541666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-518.42307234,"band_gap":3.3139,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.639000Z","spacegroup":2}]}