{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=57","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-id&page=55","results":[{"id":"mp-990238","created_at":"2022-09-04T14:42:10.507385Z","structure_string":"Au1 O2 F6\n1.0\n5.063586 0.000000 0.000000\n1.211621 4.999051 0.000000\n1.028428 0.359952 5.120992\nAu O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.392842 0.497730 0.474233 O\n0.607158 0.502270 0.525767 O\n0.938273 0.717215 0.815919 F\n0.219679 0.111223 0.674190 F\n0.780321 0.888777 0.325810 F\n0.665528 0.239198 0.909205 F\n0.334472 0.760802 0.090795 F\n0.061727 0.282785 0.184081 F\n","nsites":9,"nelements":3,"elements":["Au","O","F"],"chemical_system":"Au-F-O","density":4.393264784661673,"density_atomic":0.06942927882764904,"volume":129.62830886291593,"volume_molar":8.673776916147059,"formula_full":"Au1 O2 F6","formula_reduced":"Au(OF3)2","formula_anonymous":"AB2C6","energy":-33.3056936,"energy_per_atom":-3.700632622222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.2116936,"band_gap":0.1053000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9981492,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.865000Z","spacegroup":2},{"id":"mp-9902","created_at":"2022-09-04T14:45:56.740707Z","structure_string":"Sc4 Co2 Si4\n1.0\n1.976996 4.935255 0.000000\n-1.976996 4.935255 0.000000\n0.000000 4.538243 8.268793\nSc Co Si\n4 2 4\ndirect\n0.315959 0.315959 0.105413 Sc\n0.500294 0.500294 0.671758 Sc\n0.684041 0.684041 0.894587 Sc\n0.499706 0.499706 0.328242 Sc\n0.774505 0.774505 0.374397 Co\n0.225495 0.225495 0.625603 Co\n0.987726 0.987726 0.875027 Si\n0.144966 0.144966 0.430762 Si\n0.012274 0.012274 0.124973 Si\n0.855034 0.855034 0.569238 Si\n","nsites":10,"nelements":3,"elements":["Sc","Co","Si"],"chemical_system":"Co-Sc-Si","density":4.219678721251933,"density_atomic":0.06197442364281207,"volume":161.35688582817215,"volume_molar":9.717138790525018,"formula_full":"Sc4 Co2 Si4","formula_reduced":"Sc2CoSi2","formula_anonymous":"AB2C2","energy":-69.38199365999999,"energy_per_atom":-6.938199365999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.66599366,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001921,"is_theoretical":false,"updated_at":"2021-11-28T01:37:12.859000Z","spacegroup":12},{"id":"mp-9901","created_at":"2022-09-04T14:48:26.112522Z","structure_string":"Sc6 Co4 Si6\n1.0\n1.963037 -4.967497 0.000000\n1.963037 4.967497 0.000000\n0.000000 0.000000 12.802442\nSc Co Si\n6 4 6\ndirect\n0.857025 0.142975 0.750000 Sc\n0.579864 0.420136 0.613107 Sc\n0.579864 0.420136 0.886893 Sc\n0.420136 0.579864 0.113107 Sc\n0.142975 0.857025 0.250000 Sc\n0.420136 0.579864 0.386893 Sc\n0.284734 0.715266 0.583166 Co\n0.715266 0.284734 0.083166 Co\n0.284734 0.715266 0.916834 Co\n0.715266 0.284734 0.416834 Co\n0.836058 0.163942 0.250000 Si\n0.113645 0.886355 0.459230 Si\n0.113645 0.886355 0.040770 Si\n0.886355 0.113645 0.540770 Si\n0.163942 0.836058 0.750000 Si\n0.886355 0.113645 0.959230 Si\n","nsites":16,"nelements":3,"elements":["Sc","Co","Si"],"chemical_system":"Co-Sc-Si","density":4.482373087418241,"density_atomic":0.0640812642203212,"volume":249.68296419667297,"volume_molar":9.397662223540031,"formula_full":"Sc6 Co4 Si6","formula_reduced":"Sc3Co2Si3","formula_anonymous":"A2B3C3","energy":-111.92300193,"energy_per_atom":-6.995187620625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.34900193,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0059621,"is_theoretical":false,"updated_at":"2021-11-28T01:39:14.553000Z","spacegroup":63},{"id":"mp-990091","created_at":"2022-09-04T14:45:36.543314Z","structure_string":"Ag8 W4 S16\n1.0\n7.384332 0.000000 0.000000\n0.000000 7.852056 0.000000\n0.000000 0.000000 12.058650\nAg W S\n8 4 16\ndirect\n0.093179 0.750000 0.045687 Ag\n0.906821 0.250000 0.954313 Ag\n0.593179 0.750000 0.454313 Ag\n0.406821 0.250000 0.545687 Ag\n0.364076 0.750000 0.870962 Ag\n0.635924 0.250000 0.129038 Ag\n0.864076 0.750000 0.629038 Ag\n0.135924 0.250000 0.370962 Ag\n0.184841 0.750000 0.454973 W\n0.815159 0.250000 0.545027 W\n0.684841 0.750000 0.045027 W\n0.315159 0.250000 0.954973 W\n0.662236 0.474469 0.610267 S\n0.337764 0.974469 0.389733 S\n0.162236 0.025531 0.889733 S\n0.837764 0.525531 0.110267 S\n0.337764 0.525531 0.389733 S\n0.662236 0.025531 0.610267 S\n0.837764 0.974469 0.110267 S\n0.162236 0.474469 0.889733 S\n0.914055 0.750000 0.378857 S\n0.085945 0.250000 0.621143 S\n0.414055 0.750000 0.121143 S\n0.585945 0.250000 0.878857 S\n0.302838 0.250000 0.139664 S\n0.697162 0.750000 0.860336 S\n0.802838 0.250000 0.360336 S\n0.197162 0.750000 0.639664 S\n","nsites":28,"nelements":3,"elements":["Ag","W","S"],"chemical_system":"Ag-S-W","density":5.014355634701696,"density_atomic":0.04004651597410821,"volume":699.1869159879776,"volume_molar":15.037864377249628,"formula_full":"Ag8 W4 S16","formula_reduced":"Ag2WS4","formula_anonymous":"AB2C4","energy":-154.65296115,"energy_per_atom":-5.523320041071429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.60496115,"band_gap":0.8692999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005708,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.634000Z","spacegroup":62},{"id":"mp-990086","created_at":"2022-09-04T14:45:29.920641Z","structure_string":"Mo18 H2 S36\n1.0\n3.168089 0.000000 0.000000\n0.000000 13.205179 0.000000\n0.000000 0.000000 43.297679\nMo H S\n18 2 36\ndirect\n0.000000 0.000000 0.298291 Mo\n0.000000 0.500000 0.127785 Mo\n0.500000 0.500000 0.191648 Mo\n0.000000 0.000000 0.170055 Mo\n0.000000 0.500000 0.255514 Mo\n0.500000 0.500000 0.063971 Mo\n0.000000 0.500000 0.383281 Mo\n0.000000 0.000000 0.042018 Mo\n0.000000 0.000000 0.426337 Mo\n0.500000 0.000000 0.362279 Mo\n0.500000 0.500000 0.447395 Mo\n0.500000 0.000000 0.234161 Mo\n0.000000 0.500000 0.507754 Mo\n0.500000 0.000000 0.106061 Mo\n0.500000 0.500000 0.319394 Mo\n0.000000 0.500000 0.999928 Mo\n0.500000 0.000000 0.981222 Mo\n0.500000 0.000000 0.487725 Mo\n0.000000 0.096751 0.543283 H\n0.000000 0.903249 0.543283 H\n0.500000 0.385500 0.977628 S\n0.500000 0.118560 0.319730 S\n0.000000 0.618164 0.425877 S\n0.000000 0.118583 0.127419 S\n0.500000 0.118355 0.063465 S\n0.500000 0.381246 0.106385 S\n0.500000 0.881440 0.319730 S\n0.000000 0.120265 0.512647 S\n0.000000 0.881417 0.127419 S\n0.000000 0.618653 0.170256 S\n0.500000 0.121776 0.447172 S\n0.500000 0.618754 0.106385 S\n0.500000 0.614500 0.977628 S\n0.500000 0.381397 0.361920 S\n0.000000 0.381836 0.425877 S\n0.500000 0.618655 0.234124 S\n0.000000 0.879735 0.512647 S\n0.500000 0.378594 0.490645 S\n0.000000 0.118500 0.255622 S\n0.500000 0.118536 0.191480 S\n0.000000 0.118406 0.383673 S\n0.000000 0.879244 0.998817 S\n0.500000 0.621406 0.490645 S\n0.500000 0.381345 0.234124 S\n0.500000 0.618603 0.361920 S\n0.000000 0.381486 0.042405 S\n0.000000 0.381347 0.170256 S\n0.000000 0.881500 0.255622 S\n0.500000 0.881645 0.063465 S\n0.000000 0.618642 0.298014 S\n0.500000 0.881464 0.191480 S\n0.000000 0.381358 0.298014 S\n0.000000 0.881594 0.383673 S\n0.500000 0.878224 0.447172 S\n0.000000 0.120756 0.998817 S\n0.000000 0.618514 0.042405 S\n","nsites":56,"nelements":3,"elements":["Mo","H","S"],"chemical_system":"H-Mo-S","density":2.6431938422765766,"density_atomic":0.030915889368890826,"volume":1811.3662955577176,"volume_molar":19.479112142443462,"formula_full":"Mo18 H2 S36","formula_reduced":"Mo9HS18","formula_anonymous":"AB9C18","energy":-407.17439596,"energy_per_atom":-7.270971356428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.06639596,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.1540733,"is_theoretical":true,"updated_at":"2021-11-28T01:37:00.627000Z","spacegroup":25},{"id":"mp-990084","created_at":"2022-09-04T14:42:55.681588Z","structure_string":"Na2 Cl1\n1.0\n6.824272 -1.967387 0.000000\n6.824272 1.967387 0.000000\n6.257089 0.000000 3.360081\nNa Cl\n2 1\ndirect\n0.248926 0.248926 0.248926 Na\n0.751074 0.751074 0.751074 Na\n0.000000 0.000000 0.000000 Cl\n","nsites":3,"nelements":2,"elements":["Na","Cl"],"chemical_system":"Cl-Na","density":1.49872241498256,"density_atomic":0.033250286086787324,"volume":90.22478760542488,"volume_molar":18.1115457000324,"formula_full":"Na2 Cl1","formula_reduced":"Na2Cl","formula_anonymous":"AB2","energy":-8.40039711,"energy_per_atom":-2.80013237,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.786397109999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000228,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.772000Z","spacegroup":166},{"id":"mp-990083","created_at":"2022-09-04T14:44:19.105358Z","structure_string":"Mo18 S36\n1.0\n3.162981 0.000000 0.000000\n0.000000 13.020965 0.000000\n0.000000 0.000000 43.476517\nMo S\n18 36\ndirect\n0.000000 0.000000 0.053033 Mo\n0.000000 0.500000 0.883181 Mo\n0.500000 0.500000 0.946967 Mo\n0.000000 0.000000 0.925326 Mo\n0.000000 0.500000 0.010783 Mo\n0.500000 0.500000 0.819559 Mo\n0.000000 0.500000 0.138645 Mo\n0.000000 0.000000 0.796931 Mo\n0.000000 0.000000 0.180441 Mo\n0.500000 0.000000 0.116819 Mo\n0.500000 0.500000 0.203069 Mo\n0.500000 0.000000 0.989217 Mo\n0.000000 0.500000 0.262789 Mo\n0.500000 0.000000 0.861355 Mo\n0.500000 0.500000 0.074674 Mo\n0.000000 0.500000 0.755720 Mo\n0.500000 0.000000 0.737211 Mo\n0.500000 0.000000 0.244280 Mo\n0.500000 0.384243 0.733170 S\n0.500000 0.120459 0.074411 S\n0.000000 0.619968 0.181241 S\n0.000000 0.120255 0.882769 S\n0.500000 0.119968 0.818759 S\n0.500000 0.379435 0.861814 S\n0.500000 0.879541 0.074411 S\n0.000000 0.115757 0.266830 S\n0.000000 0.879745 0.882769 S\n0.000000 0.620459 0.925589 S\n0.500000 0.120227 0.201950 S\n0.500000 0.620565 0.861814 S\n0.500000 0.615757 0.733170 S\n0.500000 0.379745 0.117231 S\n0.000000 0.380032 0.181241 S\n0.500000 0.620466 0.989408 S\n0.000000 0.884243 0.266830 S\n0.500000 0.374566 0.245796 S\n0.000000 0.120466 0.010592 S\n0.500000 0.120438 0.946738 S\n0.000000 0.120565 0.138186 S\n0.000000 0.874566 0.754204 S\n0.500000 0.625434 0.245796 S\n0.500000 0.379534 0.989408 S\n0.500000 0.620255 0.117231 S\n0.000000 0.379773 0.798050 S\n0.000000 0.379541 0.925589 S\n0.000000 0.879534 0.010592 S\n0.500000 0.880032 0.818759 S\n0.000000 0.620438 0.053262 S\n0.500000 0.879562 0.946738 S\n0.000000 0.379562 0.053262 S\n0.000000 0.879435 0.138186 S\n0.500000 0.879773 0.201950 S\n0.000000 0.125434 0.754204 S\n0.000000 0.620227 0.798050 S\n","nsites":54,"nelements":2,"elements":["Mo","S"],"chemical_system":"Mo-S","density":2.6720036578961808,"density_atomic":0.030157772495745208,"volume":1790.583174125959,"volume_molar":19.96878503161873,"formula_full":"Mo18 S36","formula_reduced":"MoS2","formula_anonymous":"AB2","energy":-400.03462591,"energy_per_atom":-7.4080486279629625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-381.92662591,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.6636182,"is_theoretical":true,"updated_at":"2021-11-28T01:36:35.330000Z","spacegroup":59},{"id":"mp-990076","created_at":"2022-09-04T14:43:43.801656Z","structure_string":"P2 O5\n1.0\n3.092748 0.000000 0.000000\n0.000000 3.268989 0.000000\n0.000000 0.000000 5.920383\nP O\n2 5\ndirect\n0.000000 0.000000 0.000000 P\n0.500000 0.000000 0.500000 P\n0.000000 0.000000 0.689377 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.310623 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n","nsites":7,"nelements":2,"elements":["P","O"],"chemical_system":"O-P","density":3.937857021427678,"density_atomic":0.11694731174547379,"volume":59.85601460626068,"volume_molar":5.149447789878825,"formula_full":"P2 O5","formula_reduced":"P2O5","formula_anonymous":"A2B5","energy":-47.90033297,"energy_per_atom":-6.84290471,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.46533297,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.311000Z","spacegroup":47},{"id":"mp-9900","created_at":"2022-09-04T14:48:24.526911Z","structure_string":"Ag4 Ge2 S6\n1.0\n3.532381 -5.992690 0.000000\n3.532381 5.992690 0.000000\n0.000000 0.000000 6.545330\nAg Ge S\n4 2 6\ndirect\n0.995920 0.309970 0.490117 Ag\n0.004080 0.690030 0.990117 Ag\n0.309970 0.995920 0.490117 Ag\n0.690030 0.004080 0.990117 Ag\n0.339234 0.339234 0.959468 Ge\n0.660766 0.660766 0.459468 Ge\n0.642665 0.642665 0.823628 S\n0.357335 0.357335 0.323628 S\n0.963532 0.651607 0.376836 S\n0.651607 0.963532 0.376836 S\n0.348393 0.036468 0.876836 S\n0.036468 0.348393 0.876836 S\n","nsites":12,"nelements":3,"elements":["Ag","Ge","S"],"chemical_system":"Ag-Ge-S","density":4.608983790376646,"density_atomic":0.04330423295512619,"volume":277.1091688065447,"volume_molar":13.90658683699678,"formula_full":"Ag4 Ge2 S6","formula_reduced":"Ag2GeS3","formula_anonymous":"AB2C3","energy":-51.04611977,"energy_per_atom":-4.253843314166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.02811977,"band_gap":0.4646000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003545,"is_theoretical":false,"updated_at":"2021-11-28T01:39:48.915000Z","spacegroup":36},{"id":"mp-990","created_at":"2022-09-04T14:42:28.508212Z","structure_string":"Ho1 Au2\n1.0\n-1.870849 1.870849 4.525294\n1.870849 -1.870849 4.525294\n1.870849 1.870849 -4.525294\nHo Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.664434 0.664434 0.000000 Au\n0.335566 0.335566 0.000000 Au\n","nsites":3,"nelements":2,"elements":["Ho","Au"],"chemical_system":"Au-Ho","density":14.647737477037579,"density_atomic":0.04735185437695837,"volume":63.35549134185152,"volume_molar":12.717856225986372,"formula_full":"Ho1 Au2","formula_reduced":"HoAu2","formula_anonymous":"AB2","energy":-13.74899794,"energy_per_atom":-4.5829993133333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.74899794,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043878,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.759000Z","spacegroup":139},{"id":"mp-99","created_at":"2022-09-04T14:39:13.064391Z","structure_string":"Er2\n1.0\n1.793652 -3.106697 0.000000\n1.793652 3.106697 0.000000\n0.000000 0.000000 5.545683\nEr\n2\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n","nsites":2,"nelements":1,"elements":["Er"],"chemical_system":"Er","density":8.987656551709964,"density_atomic":0.03235995245436004,"volume":61.804787965024616,"volume_molar":18.60985663836661,"formula_full":"Er2","formula_reduced":"Er","formula_anonymous":"A","energy":-9.12207932,"energy_per_atom":-4.56103966,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.12207932,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5174163,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.120000Z","spacegroup":194},{"id":"mp-9899","created_at":"2022-09-04T14:43:55.616796Z","structure_string":"Ba2 Ag2 P2\n1.0\n2.265988 -3.924807 0.000000\n2.265988 3.924807 0.000000\n0.000000 0.000000 9.037968\nBa Ag P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n","nsites":6,"nelements":3,"elements":["Ba","Ag","P"],"chemical_system":"Ag-Ba-P","density":5.7052838278433535,"density_atomic":0.03732282807967864,"volume":160.7595219523799,"volume_molar":16.135274495125696,"formula_full":"Ba2 Ag2 P2","formula_reduced":"BaAgP","formula_anonymous":"ABC","energy":-24.69004244,"energy_per_atom":-4.1150070733333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.69004244,"band_gap":0.1217000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027942,"is_theoretical":false,"updated_at":"2021-11-28T01:36:26.485000Z","spacegroup":194}]}