{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=44","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=42","results":[{"id":"mp-556434","created_at":"2022-09-04T14:42:58.304022Z","structure_string":"Ag2 Bi2 P4 S12\n1.0\n6.500439 0.000000 0.000000\n-0.715139 7.426430 0.000000\n-0.162782 -0.877851 9.889179\nAg Bi P S\n2 2 4 12\ndirect\n0.065151 0.013280 0.303426 Ag\n0.934849 0.986720 0.696574 Ag\n0.529094 0.359211 0.775989 Bi\n0.470906 0.640789 0.224011 Bi\n0.942590 0.607086 0.072827 P\n0.442041 0.884330 0.561180 P\n0.557959 0.115670 0.438820 P\n0.057410 0.392914 0.927173 P\n0.179049 0.812778 0.084245 S\n0.676589 0.734086 0.594341 S\n0.127306 0.503371 0.754516 S\n0.323411 0.265914 0.405659 S\n0.690040 0.691965 0.978388 S\n0.672074 0.989717 0.263329 S\n0.820951 0.187222 0.915755 S\n0.327926 0.010283 0.736671 S\n0.872694 0.496629 0.245484 S\n0.309960 0.308035 0.021612 S\n0.792075 0.255773 0.553272 S\n0.207925 0.744227 0.446728 S\n","nsites":20,"nelements":4,"elements":["Ag","Bi","P","S"],"chemical_system":"Ag-Bi-P-S","density":3.973504640567397,"density_atomic":0.04189353217600121,"volume":477.40066213507384,"volume_molar":14.374869931473084,"formula_full":"Ag2 Bi2 P4 S12","formula_reduced":"AgBi(PS3)2","formula_anonymous":"ABC2D6","energy":-95.89537962,"energy_per_atom":-4.794768981,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.85937962,"band_gap":1.1837999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007208,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.810000Z","spacegroup":2},{"id":"mp-569126","created_at":"2022-09-04T14:47:05.405236Z","structure_string":"Ag2 Bi2 P4 Se12\n1.0\n14.472749 -3.377535 0.000000\n14.472749 3.377535 0.000000\n13.684527 0.000000 5.796717\nAg Bi P Se\n2 2 4 12\ndirect\n0.594134 0.594134 0.594134 Ag\n0.405866 0.405866 0.405866 Ag\n0.087367 0.087367 0.087367 Bi\n0.912633 0.912633 0.912633 Bi\n0.724184 0.724184 0.724184 P\n0.777376 0.777376 0.777376 P\n0.222624 0.222624 0.222624 P\n0.275816 0.275816 0.275816 P\n0.498579 0.751583 0.124023 Se\n0.007776 0.730089 0.385434 Se\n0.614566 0.992224 0.269911 Se\n0.730089 0.385434 0.007776 Se\n0.751583 0.124023 0.498579 Se\n0.385434 0.007776 0.730089 Se\n0.269911 0.614566 0.992224 Se\n0.124023 0.498579 0.751583 Se\n0.992224 0.269911 0.614566 Se\n0.875977 0.501421 0.248417 Se\n0.248417 0.875977 0.501421 Se\n0.501421 0.248417 0.875977 Se\n","nsites":20,"nelements":4,"elements":["Ag","Bi","P","Se"],"chemical_system":"Ag-Bi-P-Se","density":4.996191648875751,"density_atomic":0.03529124773944379,"volume":566.7127483749094,"volume_molar":17.06411970600083,"formula_full":"Ag2 Bi2 P4 Se12","formula_reduced":"AgBi(PSe3)2","formula_anonymous":"ABC2D6","energy":-86.3963971,"energy_per_atom":-4.319819855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.73239709999999,"band_gap":1.2778,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024487,"is_theoretical":false,"updated_at":"2021-11-28T01:37:52.659000Z","spacegroup":148},{"id":"mp-556094","created_at":"2022-09-04T14:39:12.805163Z","structure_string":"Ag2 Bi2 S2 Cl4\n1.0\n2.035271 -7.085201 0.000000\n2.035271 7.085201 0.000000\n0.000000 0.000000 8.704502\nAg Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.708947 0.291053 0.750000 Bi\n0.291053 0.708947 0.250000 Bi\n0.082711 0.917289 0.750000 S\n0.917289 0.082711 0.250000 S\n0.340673 0.659327 0.562402 Cl\n0.659327 0.340673 0.437598 Cl\n0.659327 0.340673 0.062402 Cl\n0.340673 0.659327 0.937598 Cl\n","nsites":10,"nelements":4,"elements":["Ag","Bi","S","Cl"],"chemical_system":"Ag-Bi-Cl-S","density":5.553841211740978,"density_atomic":0.03983379235670673,"volume":251.0431321841321,"volume_molar":15.118170788441299,"formula_full":"Ag2 Bi2 S2 Cl4","formula_reduced":"AgBiSCl2","formula_anonymous":"ABCD2","energy":-38.58724502,"energy_per_atom":-3.858724502,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-35.12524502,"band_gap":1.0752000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0076095,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.177000Z","spacegroup":63},{"id":"mp-1173060","created_at":"2022-09-04T14:45:13.659411Z","structure_string":"Ag2 Bi2 S4\n1.0\n-2.810566 2.810566 5.769160\n2.810566 -2.810566 5.769160\n2.810566 2.810566 -5.769160\nAg Bi S\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 Bi\n0.503388 0.003388 0.500000 S\n0.996612 0.496612 0.500000 S\n0.753388 0.753388 0.000000 S\n0.246612 0.246612 0.000000 S\n","nsites":8,"nelements":3,"elements":["Ag","Bi","S"],"chemical_system":"Ag-Bi-S","density":6.940959706136141,"density_atomic":0.04388638771236501,"volume":182.2888694424489,"volume_molar":13.722115384546125,"formula_full":"Ag2 Bi2 S4","formula_reduced":"AgBiS2","formula_anonymous":"ABC2","energy":-33.57116997,"energy_per_atom":-4.19639624625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.55916997,"band_gap":0.2304000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010216,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.850000Z","spacegroup":141},{"id":"mp-675977","created_at":"2022-09-04T14:45:29.062146Z","structure_string":"Ag2 Bi2 S4\n1.0\n3.971295 3.978209 0.000000\n-3.971295 3.978209 0.000000\n0.000000 3.975391 5.776201\nAg Bi S\n2 2 4\ndirect\n0.758201 0.499544 0.497267 Ag\n0.499544 0.758201 0.997267 Ag\n0.002212 0.255325 0.997377 Bi\n0.255325 0.002212 0.497377 Bi\n0.999818 0.746199 0.992604 S\n0.482431 0.244503 0.008957 S\n0.746199 0.999818 0.492604 S\n0.244503 0.482431 0.508957 S\n","nsites":8,"nelements":3,"elements":["Ag","Bi","S"],"chemical_system":"Ag-Bi-S","density":6.932464224774485,"density_atomic":0.04383267237549146,"volume":182.51225778497385,"volume_molar":13.73893133508148,"formula_full":"Ag2 Bi2 S4","formula_reduced":"AgBiS2","formula_anonymous":"ABC2","energy":-33.57593591,"energy_per_atom":-4.19699198875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.56393591,"band_gap":0.3168999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.31e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.421000Z","spacegroup":9},{"id":"mp-1229130","created_at":"2022-09-04T14:42:11.628326Z","structure_string":"Ag2 Bi2 Se1 S3\n1.0\n-2.824725 2.890686 5.785393\n2.824725 -2.890686 5.785393\n2.824725 2.890686 -5.785393\nAg Bi Se S\n2 2 1 3\ndirect\n0.995668 0.995668 0.000000 Ag\n0.250199 0.750199 0.500000 Ag\n0.505892 0.505892 0.000000 Bi\n0.751841 0.251841 0.500000 Bi\n0.248087 0.248087 0.000000 Se\n0.505443 0.005443 0.500000 S\n0.747321 0.747321 0.000000 S\n0.995549 0.495549 0.500000 S\n","nsites":8,"nelements":4,"elements":["Ag","Bi","Se","S"],"chemical_system":"Ag-Bi-S-Se","density":7.108014722541554,"density_atomic":0.04233699575580333,"volume":188.96003028045283,"volume_molar":14.224298754534363,"formula_full":"Ag2 Bi2 Se1 S3","formula_reduced":"Ag2Bi2SeS3","formula_anonymous":"AB2C2D3","energy":-32.89115175,"energy_per_atom":-4.11139396875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.91015175,"band_gap":0.1889999999999991,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009131,"is_theoretical":true,"updated_at":"2021-11-28T01:35:32.371000Z","spacegroup":44},{"id":"mp-33618","created_at":"2022-09-04T14:48:13.668894Z","structure_string":"Ag2 Bi2 Se4\n1.0\n-2.931234 2.931234 5.941494\n2.931234 -2.931234 5.941494\n2.931234 2.931234 -5.941494\nAg Bi Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 Bi\n0.749639 0.749639 0.000000 Se\n0.250361 0.250361 0.000000 Se\n0.000361 0.500361 0.500000 Se\n0.499639 0.999639 0.500000 Se\n","nsites":8,"nelements":3,"elements":["Ag","Bi","Se"],"chemical_system":"Ag-Bi-Se","density":7.721549288922001,"density_atomic":0.03917719640198252,"volume":204.2004210284728,"volume_molar":15.37154598355909,"formula_full":"Ag2 Bi2 Se4","formula_reduced":"AgBiSe2","formula_anonymous":"ABC2","energy":-31.01858679,"energy_per_atom":-3.87732334875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.13058679,"band_gap":0.0210999999999996,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035092,"is_theoretical":true,"updated_at":"2021-11-28T01:38:46.991000Z","spacegroup":141},{"id":"mp-1192345","created_at":"2022-09-04T14:39:31.927942Z","structure_string":"Ag2 Bi2 W4 O16\n1.0\n5.587861 5.155058 0.000000\n-5.587861 5.155058 0.000000\n0.000000 4.507511 5.860144\nAg Bi W O\n2 2 4 16\ndirect\n0.687952 0.687952 0.487174 Ag\n0.312048 0.312048 0.512826 Ag\n0.716156 0.283844 0.000000 Bi\n0.283844 0.716156 0.000000 Bi\n0.157740 0.842260 0.500000 W\n0.842260 0.157740 0.500000 W\n0.783622 0.783622 0.973621 W\n0.216378 0.216378 0.026379 W\n0.898659 0.653212 0.764218 O\n0.653212 0.898659 0.764218 O\n0.101341 0.346788 0.235782 O\n0.346788 0.101341 0.235782 O\n0.794524 0.310867 0.640158 O\n0.310867 0.794524 0.640158 O\n0.205476 0.689133 0.359842 O\n0.689133 0.205476 0.359842 O\n0.441010 0.441010 0.845785 O\n0.558990 0.558990 0.154215 O\n0.047198 0.296915 0.906902 O\n0.296915 0.047198 0.906902 O\n0.952802 0.703085 0.093098 O\n0.703085 0.952802 0.093098 O\n0.021481 0.021481 0.656620 O\n0.978519 0.978519 0.343380 O\n","nsites":24,"nelements":4,"elements":["Ag","Bi","W","O"],"chemical_system":"Ag-Bi-O-W","density":7.992777992463719,"density_atomic":0.07108759273367356,"volume":337.6116573522881,"volume_molar":8.471437178301532,"formula_full":"Ag2 Bi2 W4 O16","formula_reduced":"AgBi(WO4)2","formula_anonymous":"ABC2D8","energy":-188.9739228,"energy_per_atom":-7.87391345,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.2299228,"band_gap":2.9907,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006932,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.090000Z","spacegroup":12},{"id":"mp-558368","created_at":"2022-09-04T14:41:54.020625Z","structure_string":"Ag2 Bi4 S6 Cl2\n1.0\n4.028463 0.000000 0.000000\n0.000000 7.851242 0.000000\n0.000000 2.433136 10.639980\nAg Bi S Cl\n2 4 6 2\ndirect\n0.250000 0.941144 0.406310 Ag\n0.750000 0.058856 0.593690 Ag\n0.250000 0.459176 0.345894 Bi\n0.750000 0.540824 0.654106 Bi\n0.750000 0.187004 0.072887 Bi\n0.250000 0.812996 0.927113 Bi\n0.250000 0.959508 0.145835 S\n0.750000 0.682247 0.413590 S\n0.250000 0.317753 0.586410 S\n0.750000 0.040492 0.854165 S\n0.750000 0.199953 0.338190 S\n0.250000 0.800047 0.661810 S\n0.250000 0.404303 0.897944 Cl\n0.750000 0.595697 0.102056 Cl\n","nsites":14,"nelements":4,"elements":["Ag","Bi","S","Cl"],"chemical_system":"Ag-Bi-Cl-S","density":6.488452106603947,"density_atomic":0.04160154703479139,"volume":336.52594669837146,"volume_molar":14.475761574356074,"formula_full":"Ag2 Bi4 S6 Cl2","formula_reduced":"AgBi2S3Cl","formula_anonymous":"ABC2D3","energy":-59.67027306,"energy_per_atom":-4.2621623614285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.42427306,"band_gap":0.7834000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014448,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.901000Z","spacegroup":11},{"id":"mp-569939","created_at":"2022-09-04T14:41:10.880452Z","structure_string":"Ag2 Bi4 Se6 Cl2\n1.0\n4.149315 0.000000 0.000000\n0.000000 8.150123 0.000000\n0.000000 2.773238 10.965373\nAg Bi Se Cl\n2 4 6 2\ndirect\n0.750000 0.047113 0.587058 Ag\n0.250000 0.952887 0.412942 Ag\n0.250000 0.809003 0.934253 Bi\n0.750000 0.190997 0.065747 Bi\n0.750000 0.532653 0.656275 Bi\n0.250000 0.467347 0.343725 Bi\n0.250000 0.795912 0.665503 Se\n0.250000 0.955560 0.150138 Se\n0.250000 0.309768 0.587890 Se\n0.750000 0.690232 0.412110 Se\n0.750000 0.204088 0.334497 Se\n0.750000 0.044440 0.849862 Se\n0.250000 0.403361 0.902062 Cl\n0.750000 0.596639 0.097938 Cl\n","nsites":14,"nelements":4,"elements":["Ag","Bi","Se","Cl"],"chemical_system":"Ag-Bi-Cl-Se","density":7.148355822255247,"density_atomic":0.03775409438853801,"volume":370.82070770714455,"volume_molar":15.950960703823153,"formula_full":"Ag2 Bi4 Se6 Cl2","formula_reduced":"AgBi2Se3Cl","formula_anonymous":"ABC2D3","energy":-55.90427762,"energy_per_atom":-3.993162687142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.84427762,"band_gap":0.5499999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018262,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.799000Z","spacegroup":11},{"id":"mp-1215004","created_at":"2022-09-04T14:39:47.832547Z","structure_string":"Ag2 Bi4 W2 O16\n1.0\n-0.051486 0.000000 -8.287532\n-3.669263 -5.774913 3.492648\n-3.669263 5.774913 3.492648\nAg Bi W O\n2 4 2 16\ndirect\n0.601201 0.722149 0.722149 Ag\n0.398799 0.277851 0.277851 Ag\n0.990849 0.253793 0.253793 Bi\n0.009151 0.746207 0.746207 Bi\n0.500000 0.829688 0.170312 Bi\n0.500000 0.170312 0.829688 Bi\n0.000000 0.753771 0.246229 W\n0.000000 0.246229 0.753771 W\n0.849516 0.438389 0.163894 O\n0.150484 0.561611 0.836106 O\n0.150484 0.836106 0.561611 O\n0.849516 0.163894 0.438389 O\n0.744362 0.723313 0.199066 O\n0.255638 0.276687 0.800934 O\n0.255638 0.800934 0.276687 O\n0.744362 0.199066 0.723313 O\n0.863969 0.686561 0.930259 O\n0.136031 0.313439 0.069741 O\n0.136031 0.069741 0.313439 O\n0.863969 0.930259 0.686561 O\n0.652846 0.991390 0.991390 O\n0.347154 0.008610 0.008610 O\n0.730842 0.471490 0.471490 O\n0.269158 0.528510 0.528510 O\n","nsites":24,"nelements":4,"elements":["Ag","Bi","W","O"],"chemical_system":"Ag-Bi-O-W","density":7.874245257448344,"density_atomic":0.06793148853992373,"volume":353.2971309158795,"volume_molar":8.865021051998227,"formula_full":"Ag2 Bi4 W2 O16","formula_reduced":"AgBi2WO8","formula_anonymous":"ABC2D8","energy":-159.83959518,"energy_per_atom":-6.6599831325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.97159518,"band_gap":0.1379000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9996206,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.183000Z","spacegroup":12},{"id":"mp-1229202","created_at":"2022-09-04T14:44:12.422921Z","structure_string":"Ag2 Bi6 Pb2 S12\n1.0\n2.060103 -6.863690 0.000000\n2.060103 6.863690 0.000000\n0.000000 0.000000 20.000883\nAg Bi Pb S\n2 6 2 12\ndirect\n0.060839 0.939161 0.140160 Ag\n0.939161 0.060839 0.640160 Ag\n0.369806 0.630194 0.456657 Bi\n0.644141 0.355859 0.554766 Bi\n0.355859 0.644141 0.054766 Bi\n0.630194 0.369806 0.956657 Bi\n0.900182 0.099818 0.858824 Bi\n0.099818 0.900182 0.358824 Bi\n0.823424 0.176576 0.243212 Pb\n0.176576 0.823424 0.743212 Pb\n0.984095 0.015905 0.506898 S\n0.015905 0.984095 0.006898 S\n0.738275 0.261725 0.405097 S\n0.260860 0.739140 0.589695 S\n0.739140 0.260860 0.089695 S\n0.261725 0.738275 0.905097 S\n0.175167 0.824833 0.240237 S\n0.824833 0.175167 0.740237 S\n0.464169 0.535831 0.336730 S\n0.556108 0.443892 0.667722 S\n0.443892 0.556108 0.167722 S\n0.535831 0.464169 0.836730 S\n","nsites":22,"nelements":4,"elements":["Ag","Bi","Pb","S"],"chemical_system":"Ag-Bi-Pb-S","density":6.660691535393362,"density_atomic":0.038895281678424,"volume":565.6213054809639,"volume_molar":15.482959629369656,"formula_full":"Ag2 Bi6 Pb2 S12","formula_reduced":"AgBi3PbS6","formula_anonymous":"ABC3D6","energy":-99.27398702,"energy_per_atom":-4.5124539554545455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.23798702,"band_gap":0.3102999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002456,"is_theoretical":true,"updated_at":"2021-11-28T01:36:29.370000Z","spacegroup":36}]}