{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_full&page=12126","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_full&page=12124","results":[{"id":"mp-1192809","created_at":"2022-09-04T14:47:42.201266Z","structure_string":"Ag4 N12 O12\n1.0\n6.029281 0.000000 0.000000\n0.000000 7.930658 0.000000\n0.000000 0.000000 10.435859\nAg N O\n4 12 12\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.262629 0.985699 N\n0.000000 0.737371 0.014301 N\n0.500000 0.762629 0.514301 N\n0.500000 0.237371 0.485699 N\n0.500000 0.135091 0.825557 N\n0.500000 0.864909 0.174443 N\n0.000000 0.635091 0.674443 N\n0.000000 0.364909 0.325557 N\n0.000000 0.076749 0.656675 N\n0.000000 0.923251 0.343325 N\n0.500000 0.576749 0.843325 N\n0.500000 0.423251 0.156675 N\n0.000000 0.234843 0.674786 O\n0.000000 0.765157 0.325214 O\n0.500000 0.734843 0.825214 O\n0.500000 0.265157 0.174786 O\n0.180218 0.998700 0.648820 O\n0.180218 0.001300 0.351180 O\n0.319782 0.498700 0.851180 O\n0.319782 0.501300 0.148820 O\n0.819782 0.001300 0.351180 O\n0.819782 0.998700 0.648820 O\n0.680218 0.501300 0.148820 O\n0.680218 0.498700 0.851180 O\n","nsites":28,"nelements":3,"elements":["Ag","N","O"],"chemical_system":"Ag-N-O","density":2.6340396403942554,"density_atomic":0.056111913855412185,"volume":499.00276208987844,"volume_molar":10.732374546193,"formula_full":"Ag4 N12 O12","formula_reduced":"Ag(NO)3","formula_anonymous":"AB3C3","energy":-140.82407573,"energy_per_atom":-5.029431276071429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.58007573,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.5148111,"is_theoretical":false,"updated_at":"2021-11-28T01:38:16.206000Z","spacegroup":58},{"id":"mp-14973","created_at":"2022-09-04T14:39:06.314963Z","structure_string":"Ag4 Mo8 P12 O52\n1.0\n6.494780 0.014915 0.000000\n-1.246024 7.134476 0.000000\n0.000000 0.000000 22.736987\nAg Mo P O\n4 8 12 52\ndirect\n0.332252 0.293604 0.131750 Ag\n0.167747 0.206396 0.631750 Ag\n0.667748 0.706398 0.868250 Ag\n0.832252 0.793603 0.368250 Ag\n0.722032 0.274082 0.436574 Mo\n0.722379 0.464214 0.707785 Mo\n0.222379 0.964214 0.792215 Mo\n0.277621 0.535786 0.292215 Mo\n0.222033 0.774082 0.063425 Mo\n0.277967 0.725918 0.563426 Mo\n0.777968 0.225919 0.936575 Mo\n0.777620 0.035786 0.207785 Mo\n0.280879 0.298937 0.901900 P\n0.219121 0.201063 0.401899 P\n0.719120 0.701063 0.098100 P\n0.780880 0.798938 0.598101 P\n0.124368 0.652110 0.916474 P\n0.375632 0.847892 0.416474 P\n0.875632 0.347892 0.083526 P\n0.624369 0.152109 0.583526 P\n0.264229 0.908954 0.203647 P\n0.764228 0.408954 0.296353 P\n0.735772 0.091047 0.796353 P\n0.235773 0.591047 0.703647 P\n0.276970 0.517613 0.887663 O\n0.223031 0.982387 0.387664 O\n0.723030 0.482387 0.112337 O\n0.776969 0.017612 0.612336 O\n0.097339 0.462560 0.079891 O\n0.402660 0.037440 0.579890 O\n0.902661 0.537440 0.920110 O\n0.597340 0.962560 0.420110 O\n0.904106 0.770623 0.057461 O\n0.595893 0.729376 0.557461 O\n0.095894 0.229376 0.942539 O\n0.404107 0.270623 0.442539 O\n0.513766 0.701120 0.065420 O\n0.986233 0.798880 0.565420 O\n0.486234 0.298879 0.934580 O\n0.013767 0.201121 0.434580 O\n0.213018 0.766067 0.153051 O\n0.286982 0.733933 0.653051 O\n0.290344 0.012769 0.059774 O\n0.713019 0.266068 0.346949 O\n0.221366 0.706374 0.976628 O\n0.278636 0.793627 0.476628 O\n0.778635 0.293627 0.023372 O\n0.721365 0.206374 0.523372 O\n0.744452 0.935403 0.276001 O\n0.755548 0.564598 0.776001 O\n0.255549 0.064598 0.723999 O\n0.244452 0.435402 0.223999 O\n0.468865 0.051923 0.190043 O\n0.031135 0.448079 0.690043 O\n0.531136 0.948078 0.809957 O\n0.968866 0.551923 0.309957 O\n0.095283 0.033983 0.209123 O\n0.404718 0.466017 0.709123 O\n0.904718 0.966017 0.790877 O\n0.595282 0.533983 0.290877 O\n0.731056 0.794293 0.158205 O\n0.768945 0.705706 0.658205 O\n0.268945 0.205706 0.841795 O\n0.231055 0.294294 0.341795 O\n0.795628 0.304549 0.239215 O\n0.704373 0.195451 0.739215 O\n0.204373 0.695451 0.760785 O\n0.295627 0.804549 0.260785 O\n0.854372 0.181255 0.124733 O\n0.645628 0.318746 0.624733 O\n0.145627 0.818745 0.875267 O\n0.354373 0.681255 0.375267 O\n0.790344 0.512768 0.440225 O\n0.709656 0.987232 0.940226 O\n0.209657 0.487231 0.559775 O\n0.786982 0.233933 0.846949 O\n","nsites":76,"nelements":4,"elements":["Ag","Mo","P","O"],"chemical_system":"Ag-Mo-O-P","density":3.7853446835114335,"density_atomic":0.07210742784498564,"volume":1053.9829566987537,"volume_molar":8.351623320895895,"formula_full":"Ag4 Mo8 P12 O52","formula_reduced":"AgMo2P3O13","formula_anonymous":"AB2C3D13","energy":-592.3612252500001,"energy_per_atom":-7.794226648026317,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-531.02122525,"band_gap":2.0243,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998267,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.665000Z","spacegroup":14},{"id":"mp-27966","created_at":"2022-09-04T14:42:00.030577Z","structure_string":"Ag4 Mo4 O14\n1.0\n6.172877 0.000000 0.000000\n-0.417560 7.735798 0.000000\n-2.701465 -3.014924 6.621259\nAg Mo O\n4 4 14\ndirect\n0.241342 0.052731 0.743592 Ag\n0.758658 0.947269 0.256408 Ag\n0.763388 0.264636 0.759812 Ag\n0.236612 0.735364 0.240188 Ag\n0.228028 0.540990 0.722336 Mo\n0.771972 0.459010 0.277664 Mo\n0.667318 0.748896 0.678894 Mo\n0.332682 0.251104 0.321106 Mo\n0.254160 0.064866 0.384755 O\n0.745840 0.935134 0.615245 O\n0.081537 0.395658 0.380006 O\n0.918463 0.604342 0.619994 O\n0.645377 0.229162 0.349647 O\n0.354623 0.770838 0.650353 O\n0.503081 0.534120 0.341293 O\n0.496919 0.465880 0.658707 O\n0.349321 0.702961 0.979095 O\n0.650679 0.297039 0.020905 O\n0.814540 0.834329 0.940640 O\n0.185460 0.165671 0.059360 O\n0.124152 0.327929 0.734765 O\n0.875848 0.672071 0.265235 O\n","nsites":22,"nelements":3,"elements":["Ag","Mo","O"],"chemical_system":"Ag-Mo-O","density":5.457894192077938,"density_atomic":0.06958079082470003,"volume":316.17921755770504,"volume_molar":8.65488978872347,"formula_full":"Ag4 Mo4 O14","formula_reduced":"Ag2Mo2O7","formula_anonymous":"A2B2C7","energy":-157.19015954000002,"energy_per_atom":-7.145007251818183,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.76415954,"band_gap":1.5567,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001539,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.500000Z","spacegroup":2},{"id":"mp-1229143","created_at":"2022-09-04T14:43:57.611884Z","structure_string":"Ag4 Mo4 As4 O24\n1.0\n6.649047 0.000000 0.000000\n0.000000 7.338546 0.000000\n0.000000 0.000000 10.331767\nAg Mo As O\n4 4 4 24\ndirect\n0.519640 0.805619 0.505636 Ag\n0.980360 0.194381 0.005636 Ag\n0.019640 0.694381 0.494364 Ag\n0.480360 0.305619 0.994364 Ag\n0.251729 0.801319 0.829720 Mo\n0.248271 0.198681 0.329720 Mo\n0.751729 0.698681 0.170280 Mo\n0.748271 0.301319 0.670280 Mo\n0.249877 0.212868 0.659062 As\n0.250123 0.787132 0.159062 As\n0.749877 0.287132 0.340938 As\n0.750123 0.712868 0.840938 As\n0.544905 0.858341 0.841531 O\n0.955095 0.141659 0.341531 O\n0.044904 0.641659 0.158469 O\n0.455095 0.358341 0.658469 O\n0.455506 0.642164 0.156727 O\n0.044494 0.357836 0.656727 O\n0.955506 0.857836 0.843273 O\n0.544494 0.142164 0.343273 O\n0.250935 0.751701 0.661588 O\n0.249065 0.248299 0.161588 O\n0.750935 0.748299 0.338412 O\n0.749065 0.251701 0.838412 O\n0.255173 0.584222 0.898294 O\n0.244827 0.415778 0.398294 O\n0.755173 0.915778 0.101706 O\n0.744827 0.084222 0.601706 O\n0.249798 0.099853 0.804155 O\n0.250202 0.900147 0.304155 O\n0.749798 0.400147 0.195845 O\n0.750202 0.599853 0.695845 O\n0.254321 0.075465 0.525073 O\n0.245679 0.924535 0.025073 O\n0.754321 0.424535 0.474927 O\n0.745679 0.575465 0.974927 O\n","nsites":36,"nelements":4,"elements":["Ag","Mo","As","O"],"chemical_system":"Ag-As-Mo-O","density":4.937181814300375,"density_atomic":0.07140990800305272,"volume":504.13172354823683,"volume_molar":8.433200557746915,"formula_full":"Ag4 Mo4 As4 O24","formula_reduced":"AgMoAsO6","formula_anonymous":"ABCD6","energy":-247.80911371,"energy_per_atom":-6.8835864919444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-218.51311371,"band_gap":2.019,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007831,"is_theoretical":true,"updated_at":"2021-11-28T01:36:21.184000Z","spacegroup":19},{"id":"mp-19318","created_at":"2022-09-04T14:45:23.150414Z","structure_string":"Ag4 Mo2 O8\n1.0\n0.000000 4.732562 4.732562\n4.732562 0.000000 4.732562\n4.732562 4.732562 0.000000\nAg Mo O\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Ag\n0.125000 0.125000 0.625000 Ag\n0.625000 0.125000 0.125000 Ag\n0.125000 0.125000 0.125000 Ag\n0.750000 0.750000 0.750000 Mo\n0.500000 0.500000 0.500000 Mo\n0.389626 0.389626 0.389626 O\n0.860374 0.418877 0.860374 O\n0.389626 0.831123 0.389626 O\n0.860374 0.860374 0.418877 O\n0.418877 0.860374 0.860374 O\n0.860374 0.860374 0.860374 O\n0.831123 0.389626 0.389626 O\n0.389626 0.389626 0.831123 O\n","nsites":14,"nelements":3,"elements":["Ag","Mo","O"],"chemical_system":"Ag-Mo-O","density":5.885336508905655,"density_atomic":0.06604031000865504,"volume":211.9917365343258,"volume_molar":9.11888626690389,"formula_full":"Ag4 Mo2 O8","formula_reduced":"Ag2MoO4","formula_anonymous":"AB2C4","energy":-90.16147663,"energy_per_atom":-6.440105473571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.26147663,"band_gap":1.8731,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000623,"is_theoretical":false,"updated_at":"2021-11-28T01:37:06.912000Z","spacegroup":227},{"id":"mp-1203404","created_at":"2022-09-04T14:41:32.206623Z","structure_string":"Ag4 Mo2 I8 O28\n1.0\n2.912753 6.392361 0.000000\n-2.912753 6.392361 0.000000\n0.000000 2.858717 17.529004\nAg Mo I O\n4 2 8 28\ndirect\n0.670797 0.681986 0.039874 Ag\n0.318014 0.329203 0.460126 Ag\n0.329203 0.318014 0.960126 Ag\n0.681986 0.670797 0.539874 Ag\n0.568718 0.431282 0.250000 Mo\n0.431282 0.568718 0.750000 Mo\n0.857135 0.061292 0.087768 I\n0.938708 0.142865 0.412232 I\n0.142865 0.938708 0.912232 I\n0.061292 0.857135 0.587768 I\n0.201633 0.222122 0.174277 I\n0.777878 0.798367 0.325723 I\n0.798367 0.777878 0.825723 I\n0.222122 0.201633 0.674277 I\n0.583051 0.094605 0.069802 O\n0.905395 0.416949 0.430198 O\n0.416949 0.905395 0.930198 O\n0.094605 0.583051 0.569802 O\n0.652923 0.376620 0.139205 O\n0.623380 0.347077 0.360795 O\n0.347077 0.623380 0.860795 O\n0.376620 0.652923 0.639205 O\n0.847406 0.249693 0.000364 O\n0.750307 0.152594 0.499636 O\n0.152594 0.750307 0.999636 O\n0.249693 0.847406 0.500364 O\n0.215115 0.033865 0.108333 O\n0.966135 0.784885 0.391667 O\n0.784885 0.966135 0.891667 O\n0.033865 0.215115 0.608333 O\n0.974049 0.250296 0.252265 O\n0.749704 0.025951 0.247735 O\n0.025951 0.749704 0.747735 O\n0.250296 0.974049 0.752265 O\n0.995369 0.532846 0.124599 O\n0.467154 0.004631 0.375401 O\n0.004631 0.467154 0.875401 O\n0.532846 0.995369 0.624599 O\n0.273733 0.507110 0.256909 O\n0.492890 0.726267 0.243091 O\n0.726267 0.492890 0.743091 O\n0.507110 0.273733 0.756909 O\n","nsites":42,"nelements":4,"elements":["Ag","Mo","I","O"],"chemical_system":"Ag-I-Mo-O","density":5.30799170509228,"density_atomic":0.06434237732159462,"volume":652.7579761325347,"volume_molar":9.359524796387726,"formula_full":"Ag4 Mo2 I8 O28","formula_reduced":"Ag2Mo(I2O7)2","formula_anonymous":"AB2C4D14","energy":-223.98593354,"energy_per_atom":-5.332998417619048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.34593354,"band_gap":1.9611,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003712,"is_theoretical":false,"updated_at":"2021-11-28T01:35:21.018000Z","spacegroup":15},{"id":"mp-662534","created_at":"2022-09-04T14:47:03.419438Z","structure_string":"Ag4 Ir4 F28\n1.0\n7.264617 0.000000 0.000000\n0.000000 7.885503 0.000000\n0.000000 0.000000 10.547970\nAg Ir F\n4 4 28\ndirect\n0.250000 0.136346 0.243631 Ag\n0.750000 0.863654 0.756369 Ag\n0.750000 0.363654 0.743631 Ag\n0.250000 0.636346 0.256369 Ag\n0.250000 0.298716 0.558483 Ir\n0.750000 0.701284 0.441517 Ir\n0.250000 0.798716 0.941517 Ir\n0.750000 0.201284 0.058483 Ir\n0.750000 0.417377 0.132114 F\n0.568315 0.273059 0.937561 F\n0.931125 0.122794 0.177283 F\n0.750000 0.980348 0.984022 F\n0.068315 0.726941 0.062439 F\n0.068875 0.877206 0.822717 F\n0.431125 0.877206 0.822717 F\n0.250000 0.519652 0.484022 F\n0.931685 0.773059 0.562439 F\n0.431685 0.226941 0.437561 F\n0.250000 0.888955 0.309692 F\n0.750000 0.917377 0.367886 F\n0.750000 0.480348 0.515978 F\n0.568315 0.773059 0.562439 F\n0.250000 0.582623 0.867886 F\n0.568875 0.622794 0.322717 F\n0.750000 0.611045 0.809692 F\n0.250000 0.019652 0.015978 F\n0.068875 0.377206 0.677283 F\n0.250000 0.388955 0.190308 F\n0.931125 0.622794 0.322717 F\n0.431125 0.377206 0.677283 F\n0.931685 0.273059 0.937561 F\n0.068315 0.226941 0.437561 F\n0.568875 0.122794 0.177283 F\n0.431685 0.726941 0.062439 F\n0.750000 0.111045 0.690308 F\n0.250000 0.082623 0.632114 F\n","nsites":36,"nelements":3,"elements":["Ag","Ir","F"],"chemical_system":"Ag-F-Ir","density":4.760583780325671,"density_atomic":0.059578764222181446,"volume":604.2421401314839,"volume_molar":10.107864502765116,"formula_full":"Ag4 Ir4 F28","formula_reduced":"AgIrF7","formula_anonymous":"ABC7","energy":-162.32262887000002,"energy_per_atom":-4.508961913055556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.38662886999998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9974906,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.672000Z","spacegroup":62},{"id":"mp-1214931","created_at":"2022-09-04T14:46:42.757675Z","structure_string":"Ag4 I4 O8\n1.0\n-3.286333 3.286333 6.026066\n3.286333 -3.286333 6.026066\n3.286333 3.286333 -6.026066\nAg I O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Ag\n0.375000 0.625000 0.750000 Ag\n0.375000 0.625000 0.250000 Ag\n0.375000 0.125000 0.750000 Ag\n0.375000 0.125000 0.250000 I\n0.875000 0.125000 0.750000 I\n0.875000 0.125000 0.250000 I\n0.875000 0.625000 0.750000 I\n0.178607 0.389291 0.210684 O\n0.178607 0.967923 0.789316 O\n0.139291 0.428607 0.710684 O\n0.571393 0.860709 0.289316 O\n0.717923 0.428607 0.289316 O\n0.571393 0.282077 0.710684 O\n0.610709 0.821393 0.789316 O\n0.032077 0.821393 0.210684 O\n","nsites":16,"nelements":3,"elements":["Ag","I","O"],"chemical_system":"Ag-I-O","density":6.806619282995461,"density_atomic":0.061461474026580656,"volume":260.3256796783034,"volume_molar":9.798236790408842,"formula_full":"Ag4 I4 O8","formula_reduced":"AgIO2","formula_anonymous":"ABC2","energy":-61.83844505,"energy_per_atom":-3.864902815625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.34244505,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017064,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.404000Z","spacegroup":141},{"id":"mp-849271","created_at":"2022-09-04T14:44:05.069910Z","structure_string":"Ag4 I4 O12\n1.0\n5.915064 0.000000 0.000000\n0.000000 6.645817 0.000000\n0.000000 0.000000 8.445084\nAg I O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.012139 0.018199 0.250000 I\n0.487861 0.518199 0.250000 I\n0.512139 0.481801 0.750000 I\n0.987861 0.981801 0.750000 I\n0.132917 0.166719 0.085514 O\n0.132917 0.166719 0.414486 O\n0.215003 0.398273 0.750000 O\n0.284997 0.898273 0.750000 O\n0.367083 0.666719 0.085514 O\n0.367083 0.666719 0.414486 O\n0.632917 0.333281 0.914486 O\n0.632917 0.333281 0.585514 O\n0.715003 0.101727 0.250000 O\n0.784997 0.601727 0.250000 O\n0.867083 0.833281 0.585514 O\n0.867083 0.833281 0.914486 O\n","nsites":20,"nelements":3,"elements":["Ag","I","O"],"chemical_system":"Ag-I-O","density":5.657596324183561,"density_atomic":0.06024460977763755,"volume":331.9799078095097,"volume_molar":9.996148671603455,"formula_full":"Ag4 I4 O12","formula_reduced":"AgIO3","formula_anonymous":"ABC3","energy":-90.55530907,"energy_per_atom":-4.527765453500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.31130907,"band_gap":1.9765,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024125,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.180000Z","spacegroup":62},{"id":"mp-580941","created_at":"2022-09-04T14:46:58.129682Z","structure_string":"Ag4 I4\n1.0\n2.424317 -4.199040 0.000000\n2.424317 4.199040 0.000000\n0.000000 0.000000 14.487235\nAg I\n4 4\ndirect\n0.000000 0.000000 0.268453 Ag\n0.666667 0.333333 0.470335 Ag\n0.333333 0.666667 0.970335 Ag\n0.000000 0.000000 0.768453 Ag\n0.000000 0.000000 0.006254 I\n0.666667 0.333333 0.254958 I\n0.333333 0.666667 0.754958 I\n0.000000 0.000000 0.506254 I\n","nsites":8,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":5.286907458662272,"density_atomic":0.027122834111960977,"volume":294.9544272171785,"volume_molar":22.203213481087797,"formula_full":"Ag4 I4","formula_reduced":"AgI","formula_anonymous":"AB","energy":-20.8117399,"energy_per_atom":-2.6014674875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.2957399,"band_gap":1.3759,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.78e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:48.778000Z","spacegroup":186},{"id":"mp-1079461","created_at":"2022-09-04T14:41:48.973313Z","structure_string":"Ag4 I2 O2 F2\n1.0\n7.909823 0.000000 0.000000\n0.000000 4.639017 0.000000\n0.000000 0.234757 6.156957\nAg I O F\n4 2 2 2\ndirect\n0.994111 0.014968 0.734305 Ag\n0.494111 0.985032 0.265695 Ag\n0.430946 0.025446 0.734565 Ag\n0.930946 0.974554 0.265435 Ag\n0.717351 0.312677 0.511136 I\n0.217351 0.687323 0.488864 I\n0.883909 0.740336 0.981461 O\n0.383909 0.259664 0.018539 O\n0.558823 0.706045 0.991852 F\n0.058823 0.293955 0.008148 F\n","nsites":10,"nelements":4,"elements":["Ag","I","O","F"],"chemical_system":"Ag-F-I-O","density":5.551325674279469,"density_atomic":0.044263031038879665,"volume":225.92216947854794,"volume_molar":13.605351054043917,"formula_full":"Ag4 I2 O2 F2","formula_reduced":"Ag2IOF","formula_anonymous":"ABCD2","energy":-31.00246596,"energy_per_atom":-3.100246596,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.94646596,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.7277206,"is_theoretical":false,"updated_at":"2021-11-28T01:35:25.703000Z","spacegroup":4},{"id":"mp-1195485","created_at":"2022-09-04T14:39:49.552354Z","structure_string":"Ag4 I12 O32\n1.0\n0.000000 -8.242784 0.000000\n-8.266580 0.000000 0.000000\n0.000000 0.000000 -12.047963\nAg I O\n4 12 32\ndirect\n0.500000 0.000000 0.032752 Ag\n0.000000 0.000000 0.532752 Ag\n0.500000 0.500000 0.002751 Ag\n0.000000 0.500000 0.502751 Ag\n0.720851 0.247993 0.826641 I\n0.279149 0.752007 0.826641 I\n0.220852 0.752007 0.326641 I\n0.779149 0.247993 0.326641 I\n0.000000 0.000000 0.952094 I\n0.500000 0.000000 0.452094 I\n0.745415 0.771385 0.207979 I\n0.254585 0.228615 0.207979 I\n0.245415 0.228615 0.707979 I\n0.754585 0.771385 0.707979 I\n0.000000 0.500000 0.078987 I\n0.500000 0.500000 0.578987 I\n0.759955 0.425715 0.912293 O\n0.240045 0.574285 0.912293 O\n0.259955 0.574285 0.412293 O\n0.740045 0.425715 0.412293 O\n0.504508 0.230090 0.851224 O\n0.495492 0.769910 0.851224 O\n0.004508 0.769910 0.351224 O\n0.995492 0.230090 0.351224 O\n0.762113 0.085364 0.942989 O\n0.237887 0.914636 0.942989 O\n0.262113 0.914636 0.442989 O\n0.737887 0.085364 0.442989 O\n0.048051 0.167281 0.856796 O\n0.951949 0.832719 0.856796 O\n0.548051 0.832719 0.356796 O\n0.451949 0.167281 0.356796 O\n0.567770 0.732461 0.121496 O\n0.432230 0.267539 0.121496 O\n0.067770 0.267539 0.621496 O\n0.932230 0.732461 0.621496 O\n0.761720 0.987340 0.185563 O\n0.238280 0.012660 0.185563 O\n0.261720 0.012660 0.685563 O\n0.738280 0.987340 0.685563 O\n0.908453 0.733105 0.090582 O\n0.091547 0.266895 0.090582 O\n0.408453 0.266895 0.590582 O\n0.591547 0.733105 0.590582 O\n0.833172 0.444975 0.173200 O\n0.166828 0.555025 0.173200 O\n0.333172 0.555025 0.673200 O\n0.666828 0.444975 0.673200 O\n","nsites":48,"nelements":3,"elements":["Ag","I","O"],"chemical_system":"Ag-I-O","density":4.988647961470367,"density_atomic":0.05846928995550824,"volume":820.9437815394241,"volume_molar":10.299664600993964,"formula_full":"Ag4 I12 O32","formula_reduced":"AgI3O8","formula_anonymous":"AB3C8","energy":-224.12166839,"energy_per_atom":-4.669201424791667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-202.13766839,"band_gap":2.279,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003799,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.154000Z","spacegroup":30}]}