{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=77","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=75","results":[{"id":"mp-22915","created_at":"2022-09-04T14:47:15.647384Z","structure_string":"Ag1 I1\n1.0\n3.855000 0.000000 0.000000\n0.000000 3.855000 0.000000\n0.000000 0.000000 3.855000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n","nsites":2,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":6.804927293483764,"density_atomic":0.03491056266224425,"volume":57.289251375,"volume_molar":17.250196790763674,"formula_full":"Ag1 I1","formula_reduced":"AgI","formula_anonymous":"AB","energy":-4.51699498,"energy_per_atom":-2.25849749,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.13799498,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.11e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:03.047000Z","spacegroup":221},{"id":"mp-22919","created_at":"2022-09-04T14:48:08.447774Z","structure_string":"Ag1 I1\n1.0\n0.000000 3.084500 3.084500\n3.084500 0.000000 3.084500\n3.084500 3.084500 0.000000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n","nsites":2,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":6.6422056414720885,"density_atomic":0.0340757698446197,"volume":58.69273120224999,"volume_molar":17.67279444443967,"formula_full":"Ag1 I1","formula_reduced":"AgI","formula_anonymous":"AB","energy":-5.112435120000001,"energy_per_atom":-2.5562175600000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.73343512,"band_gap":0.7684000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001062,"is_theoretical":false,"updated_at":"2021-11-28T01:38:27.276000Z","spacegroup":225},{"id":"mp-22894","created_at":"2022-09-04T14:40:04.460865Z","structure_string":"Ag2 I2\n1.0\n2.355292 -4.079486 0.000000\n2.355292 4.079486 0.000000\n0.000000 0.000000 7.613745\nAg I\n2 2\ndirect\n0.333333 0.666667 0.000219 Ag\n0.666667 0.333333 0.500219 Ag\n0.333333 0.666667 0.379681 I\n0.666667 0.333333 0.879681 I\n","nsites":4,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":5.3290292651364375,"density_atomic":0.027338926937195335,"volume":146.31152163320257,"volume_molar":22.027714452123274,"formula_full":"Ag2 I2","formula_reduced":"AgI","formula_anonymous":"AB","energy":-10.59069133,"energy_per_atom":-2.6476728325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.83269133,"band_gap":1.3877000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:51.157000Z","spacegroup":186},{"id":"mp-568927","created_at":"2022-09-04T14:44:24.991055Z","structure_string":"Ag2 I2\n1.0\n4.396367 0.000000 0.000000\n0.000000 4.349774 0.000000\n0.000000 0.167327 6.094812\nAg I\n2 2\ndirect\n0.250000 0.181137 0.776744 Ag\n0.750000 0.818863 0.223256 Ag\n0.750000 0.718453 0.741350 I\n0.250000 0.281547 0.258650 I\n","nsites":4,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":6.689685269394208,"density_atomic":0.03431934930612878,"volume":116.55232633695874,"volume_molar":17.547362877665517,"formula_full":"Ag2 I2","formula_reduced":"AgI","formula_anonymous":"AB","energy":-10.182438090000002,"energy_per_atom":-2.5456095225000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.42443809,"band_gap":1.1563,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008814,"is_theoretical":false,"updated_at":"2021-11-28T01:36:34.710000Z","spacegroup":11},{"id":"mp-33154","created_at":"2022-09-04T14:44:59.263298Z","structure_string":"Ag1 I2\n1.0\n4.285728 0.000000 0.000000\n0.000000 4.285728 0.000000\n0.000000 0.000000 6.354781\nAg I\n1 2\ndirect\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.777762 I\n0.000000 0.500000 0.222238 I\n","nsites":3,"nelements":2,"elements":["Ag","I"],"chemical_system":"Ag-I","density":5.145414428420103,"density_atomic":0.02570226857621334,"volume":116.721214359125,"volume_molar":23.43038608495947,"formula_full":"Ag1 I2","formula_reduced":"AgI2","formula_anonymous":"AB2","energy":-6.78974781,"energy_per_atom":-2.2632492699999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.031747810000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014103,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.405000Z","spacegroup":115},{"id":"mp-1215062","created_at":"2022-09-04T14:40:01.105394Z","structure_string":"Ag4 I12 N8\n1.0\n0.000000 -3.390259 0.000000\n-7.606234 0.000000 0.000000\n0.000000 0.000000 -24.770552\nAg I N\n4 12 8\ndirect\n0.750000 0.855775 0.658071 Ag\n0.250000 0.144225 0.341929 Ag\n0.250000 0.644225 0.158071 Ag\n0.750000 0.355775 0.841929 Ag\n0.750000 0.885664 0.393988 I\n0.250000 0.114336 0.606012 I\n0.250000 0.614336 0.893988 I\n0.750000 0.385664 0.106012 I\n0.750000 0.591234 0.569804 I\n0.250000 0.408766 0.430196 I\n0.250000 0.908766 0.069804 I\n0.750000 0.091234 0.930196 I\n0.750000 0.947544 0.774432 I\n0.250000 0.052456 0.225568 I\n0.250000 0.552456 0.274432 I\n0.750000 0.447544 0.725568 I\n0.750000 0.891469 0.210026 N\n0.250000 0.108531 0.789974 N\n0.250000 0.608531 0.710026 N\n0.750000 0.391469 0.289974 N\n0.750000 0.819256 0.030056 N\n0.250000 0.180744 0.969944 N\n0.250000 0.680744 0.530056 N\n0.750000 0.319256 0.469944 N\n","nsites":24,"nelements":3,"elements":["Ag","I","N"],"chemical_system":"Ag-I-N","density":5.371815046210827,"density_atomic":0.037572751261550415,"volume":638.7607825929981,"volume_molar":16.027947269761636,"formula_full":"Ag4 I12 N8","formula_reduced":"AgI3N2","formula_anonymous":"AB2C3","energy":-74.37126461,"energy_per_atom":-3.0988026920833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.93526461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0791785,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.689000Z","spacegroup":62},{"id":"mp-1194352","created_at":"2022-09-04T14:42:48.990770Z","structure_string":"Ag4 I12 N8 O4\n1.0\n0.000000 0.000000 -3.029896\n0.000000 -11.328922 0.000000\n-22.951517 0.000000 0.000000\nAg I N O\n4 12 8 4\ndirect\n0.750000 0.322347 0.850734 Ag\n0.750000 0.822347 0.649266 Ag\n0.250000 0.677653 0.149266 Ag\n0.250000 0.177653 0.350734 Ag\n0.750000 0.326837 0.727188 I\n0.750000 0.826837 0.772812 I\n0.250000 0.673163 0.272812 I\n0.250000 0.173163 0.227188 I\n0.750000 0.100509 0.903998 I\n0.750000 0.600509 0.596002 I\n0.250000 0.899491 0.096002 I\n0.250000 0.399491 0.403998 I\n0.250000 0.512437 0.906125 I\n0.250000 0.012437 0.593875 I\n0.750000 0.487563 0.093875 I\n0.750000 0.987563 0.406125 I\n0.250000 0.100718 0.772191 N\n0.250000 0.600718 0.727809 N\n0.750000 0.899282 0.227809 N\n0.750000 0.399282 0.272191 N\n0.750000 0.269788 0.558938 N\n0.750000 0.769788 0.941062 N\n0.250000 0.730212 0.441062 N\n0.250000 0.230212 0.058938 N\n0.250000 0.303069 0.551980 O\n0.250000 0.803069 0.948020 O\n0.750000 0.696931 0.448020 O\n0.750000 0.196931 0.051980 O\n","nsites":28,"nelements":4,"elements":["Ag","I","N","O"],"chemical_system":"Ag-I-N-O","density":4.4903272011615,"density_atomic":0.0355410559627117,"volume":787.8212743418912,"volume_molar":16.94418074217659,"formula_full":"Ag4 I12 N8 O4","formula_reduced":"AgI3N2O","formula_anonymous":"ABC2D3","energy":-87.44186403,"energy_per_atom":-3.122923715357143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.14586403,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.3758144,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.732000Z","spacegroup":62},{"id":"mp-1194592","created_at":"2022-09-04T14:42:57.693337Z","structure_string":"Ag4 I12 O32\n1.0\n-4.126686 4.126686 12.074130\n4.126686 -4.126686 12.074130\n4.126686 4.126686 -12.074130\nAg I O\n4 12 32\ndirect\n0.116158 0.616158 0.500000 Ag\n0.383842 0.883842 0.500000 Ag\n0.630297 0.630297 0.000000 Ag\n0.369703 0.369703 0.000000 Ag\n0.969736 0.499063 0.030207 I\n0.468856 0.939529 0.969793 I\n0.060471 0.030264 0.529327 I\n0.500937 0.531144 0.470673 I\n0.157677 0.157677 0.000000 I\n0.842323 0.842323 0.000000 I\n0.256915 0.281069 0.480584 I\n0.800485 0.776331 0.519416 I\n0.223669 0.743085 0.024154 I\n0.718931 0.199515 0.975846 I\n0.594289 0.094289 0.500000 I\n0.905711 0.405711 0.500000 I\n0.749689 0.417419 0.816516 O\n0.600903 0.933173 0.183484 O\n0.066827 0.250311 0.667731 O\n0.582581 0.399097 0.332269 O\n0.977710 0.703591 0.266403 O\n0.437188 0.711307 0.733597 O\n0.288693 0.022290 0.725881 O\n0.296409 0.562812 0.274119 O\n0.077962 0.400517 0.154409 O\n0.246107 0.923553 0.845591 O\n0.076447 0.922038 0.322554 O\n0.599483 0.753893 0.677446 O\n0.372411 0.253563 0.214439 O\n0.039125 0.157973 0.785561 O\n0.842027 0.627589 0.881152 O\n0.746437 0.960875 0.118848 O\n0.337580 0.502967 0.699024 O\n0.803944 0.638557 0.300976 O\n0.361443 0.662420 0.165387 O\n0.497033 0.196056 0.834613 O\n0.051507 0.277230 0.248585 O\n0.028646 0.802922 0.751415 O\n0.197078 0.948493 0.225723 O\n0.722770 0.971354 0.774276 O\n0.355187 0.180928 0.359160 O\n0.821768 0.996027 0.640840 O\n0.003973 0.644813 0.825741 O\n0.819072 0.178232 0.174259 O\n0.492043 0.879435 0.276724 O\n0.602711 0.215318 0.723276 O\n0.784682 0.507957 0.387392 O\n0.120565 0.397289 0.612608 O\n","nsites":48,"nelements":3,"elements":["Ag","I","O"],"chemical_system":"Ag-I-O","density":4.979406561017461,"density_atomic":0.0583609764150762,"volume":822.4673908574347,"volume_molar":10.318779996361268,"formula_full":"Ag4 I12 O32","formula_reduced":"AgI3O8","formula_anonymous":"AB3C8","energy":-224.1396755,"energy_per_atom":-4.669576572916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-202.15567550000003,"band_gap":2.2937000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026129,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.309000Z","spacegroup":82},{"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},{"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-27384","created_at":"2022-09-04T14:39:16.973932Z","structure_string":"Ag8 I8 O24\n1.0\n5.897216 0.000000 0.000000\n0.000000 7.260605 0.000000\n0.000000 0.000000 15.511621\nAg I O\n8 8 24\ndirect\n0.001043 0.605781 0.702631 Ag\n0.501043 0.394219 0.297369 Ag\n0.001043 0.394219 0.202631 Ag\n0.501043 0.605781 0.797369 Ag\n0.993593 0.130951 0.705865 Ag\n0.493593 0.869049 0.294135 Ag\n0.993593 0.869049 0.205865 Ag\n0.493593 0.130951 0.794135 Ag\n0.600104 0.869434 0.589253 I\n0.100104 0.130566 0.410747 I\n0.600104 0.130566 0.089253 I\n0.100104 0.869434 0.910747 I\n0.514715 0.364115 0.590243 I\n0.014715 0.635885 0.409757 I\n0.514715 0.635885 0.090243 I\n0.014715 0.364115 0.909757 I\n0.169008 0.373906 0.804903 O\n0.669008 0.626094 0.195097 O\n0.169008 0.626094 0.304903 O\n0.669008 0.373906 0.695097 O\n0.144103 0.864428 0.792919 O\n0.644103 0.135572 0.207081 O\n0.144103 0.135572 0.292919 O\n0.644103 0.864428 0.707081 O\n0.294663 0.063087 0.933206 O\n0.794663 0.936913 0.066794 O\n0.294663 0.936913 0.433206 O\n0.794663 0.063087 0.566794 O\n0.829629 0.167758 0.880517 O\n0.329629 0.832242 0.119483 O\n0.829629 0.832242 0.380517 O\n0.329629 0.167758 0.619483 O\n0.320862 0.560157 0.608140 O\n0.820862 0.439843 0.391860 O\n0.320862 0.439843 0.108140 O\n0.820862 0.560157 0.891860 O\n0.795881 0.675695 0.564562 O\n0.295881 0.324305 0.435438 O\n0.795881 0.324305 0.064562 O\n0.295881 0.675695 0.935438 O\n","nsites":40,"nelements":3,"elements":["Ag","I","O"],"chemical_system":"Ag-I-O","density":5.655834880740222,"density_atomic":0.060225853141990755,"volume":664.1665981168334,"volume_molar":9.999261854874801,"formula_full":"Ag8 I8 O24","formula_reduced":"AgIO3","formula_anonymous":"ABC3","energy":-182.20941308,"energy_per_atom":-4.555235327,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.72141308,"band_gap":2.4375,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009064,"is_theoretical":false,"updated_at":"2021-11-28T01:34:43.249000Z","spacegroup":29},{"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}]}