{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=10181","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_reduced&page=10179","results":[{"id":"mp-1194314","created_at":"2022-09-04T14:43:14.343121Z","structure_string":"Sr4 Ho8 S16\n1.0\n3.977216 0.000000 0.000000\n0.000000 12.047466 0.000000\n0.000000 0.000000 14.315852\nSr Ho S\n4 8 16\ndirect\n0.250000 0.760401 0.335430 Sr\n0.250000 0.260401 0.164570 Sr\n0.750000 0.239599 0.664570 Sr\n0.750000 0.739599 0.835430 Sr\n0.250000 0.436944 0.389776 Ho\n0.250000 0.936944 0.110224 Ho\n0.750000 0.563056 0.610224 Ho\n0.750000 0.063056 0.889776 Ho\n0.250000 0.416875 0.900587 Ho\n0.250000 0.916875 0.599413 Ho\n0.750000 0.583125 0.099413 Ho\n0.750000 0.083125 0.400587 Ho\n0.250000 0.204369 0.828623 S\n0.250000 0.704369 0.671377 S\n0.750000 0.795631 0.171377 S\n0.750000 0.295631 0.328623 S\n0.250000 0.127994 0.529201 S\n0.250000 0.627994 0.970799 S\n0.750000 0.872006 0.470799 S\n0.750000 0.372006 0.029201 S\n0.250000 0.026983 0.284425 S\n0.250000 0.526983 0.215575 S\n0.750000 0.973017 0.715575 S\n0.750000 0.473017 0.784425 S\n0.250000 0.411958 0.577397 S\n0.250000 0.911958 0.922603 S\n0.750000 0.588042 0.422603 S\n0.750000 0.088042 0.077397 S\n","nsites":28,"nelements":3,"elements":["Sr","Ho","S"],"chemical_system":"Ho-S-Sr","density":5.284492641940517,"density_atomic":0.0408193367863596,"volume":685.949410362704,"volume_molar":14.753156798011451,"formula_full":"Sr4 Ho8 S16","formula_reduced":"Sr(HoS2)2","formula_anonymous":"AB2C4","energy":-177.22029282,"energy_per_atom":-6.329296172142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.17229282,"band_gap":1.8256,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0026558,"is_theoretical":false,"updated_at":"2021-11-28T01:36:07.155000Z","spacegroup":62},{"id":"mp-1187178","created_at":"2022-09-04T14:46:24.827282Z","structure_string":"Sr2 I4\n1.0\n7.748555 0.000000 0.000000\n0.000000 7.748555 0.000000\n0.000000 0.000000 5.001379\nSr I\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.302501 0.302501 0.000000 I\n0.697499 0.697499 0.000000 I\n0.197499 0.802501 0.500000 I\n0.802501 0.197499 0.500000 I\n","nsites":6,"nelements":2,"elements":["Sr","I"],"chemical_system":"I-Sr","density":3.7761411233405497,"density_atomic":0.019981129937819503,"volume":300.28331824435185,"volume_molar":30.13914017245605,"formula_full":"Sr2 I4","formula_reduced":"SrI2","formula_anonymous":"AB2","energy":-21.17428774,"energy_per_atom":-3.5290479566666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.65828774,"band_gap":3.8101,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007016,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.377000Z","spacegroup":136},{"id":"mp-23181","created_at":"2022-09-04T14:42:08.994540Z","structure_string":"Sr8 I16\n1.0\n8.037647 0.000000 0.000000\n0.000000 8.320826 0.000000\n0.000000 0.000000 15.582775\nSr I\n8 16\ndirect\n0.723065 0.550266 0.110945 Sr\n0.223065 0.449734 0.389055 Sr\n0.776935 0.050266 0.889055 Sr\n0.276935 0.949734 0.610945 Sr\n0.276935 0.449734 0.889055 Sr\n0.776935 0.550266 0.610945 Sr\n0.223065 0.949734 0.110945 Sr\n0.723065 0.050266 0.389055 Sr\n0.840848 0.891779 0.203197 I\n0.340848 0.108221 0.296803 I\n0.659152 0.391779 0.796803 I\n0.159152 0.608221 0.703197 I\n0.159152 0.108221 0.796803 I\n0.659152 0.891779 0.703197 I\n0.340848 0.608221 0.203197 I\n0.840848 0.391779 0.296803 I\n0.994700 0.732463 0.968100 I\n0.494700 0.267537 0.531900 I\n0.505300 0.232463 0.031900 I\n0.005300 0.767537 0.468100 I\n0.005300 0.267537 0.031900 I\n0.505300 0.732463 0.468100 I\n0.494700 0.767537 0.968100 I\n0.994700 0.232463 0.531900 I\n","nsites":24,"nelements":2,"elements":["Sr","I"],"chemical_system":"I-Sr","density":4.352103801211596,"density_atomic":0.02302878751468861,"volume":1042.1738437028835,"volume_molar":26.150489929870847,"formula_full":"Sr8 I16","formula_reduced":"SrI2","formula_anonymous":"AB2","energy":-84.62515486000001,"energy_per_atom":-3.526048119166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.56115486,"band_gap":3.9904,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010123,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.459000Z","spacegroup":61},{"id":"mp-568284","created_at":"2022-09-04T14:41:08.276757Z","structure_string":"Sr4 I8\n1.0\n5.015496 0.000000 0.000000\n0.000000 8.500977 0.000000\n0.000000 0.000000 12.536233\nSr I\n4 8\ndirect\n0.250000 0.131904 0.170175 Sr\n0.750000 0.631904 0.329825 Sr\n0.250000 0.368096 0.670175 Sr\n0.750000 0.868096 0.829825 Sr\n0.250000 0.376976 0.391847 I\n0.250000 0.880563 0.377536 I\n0.750000 0.380563 0.122464 I\n0.250000 0.619437 0.877536 I\n0.250000 0.123024 0.891847 I\n0.750000 0.876976 0.108153 I\n0.750000 0.119437 0.622464 I\n0.750000 0.623024 0.608153 I\n","nsites":12,"nelements":2,"elements":["Sr","I"],"chemical_system":"I-Sr","density":4.242869103781365,"density_atomic":0.022450781393683,"volume":534.5025542574858,"volume_molar":26.823746819317645,"formula_full":"Sr4 I8","formula_reduced":"SrI2","formula_anonymous":"AB2","energy":-42.49618857,"energy_per_atom":-3.5413490475000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.46418857,"band_gap":3.8666,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010081,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.938000Z","spacegroup":62},{"id":"mp-1105581","created_at":"2022-09-04T14:44:05.788452Z","structure_string":"Sr4 I8 O4\n1.0\n4.893612 0.000000 0.000000\n0.000000 8.948233 0.000000\n0.000000 0.000000 12.996661\nSr I O\n4 8 4\ndirect\n0.250000 0.385568 0.702922 Sr\n0.250000 0.114432 0.202922 Sr\n0.750000 0.614432 0.297078 Sr\n0.750000 0.885568 0.797078 Sr\n0.750000 0.619453 0.608726 I\n0.750000 0.880547 0.108726 I\n0.250000 0.380547 0.391274 I\n0.250000 0.119453 0.891274 I\n0.750000 0.144989 0.602233 I\n0.750000 0.355011 0.102233 I\n0.250000 0.855011 0.397767 I\n0.250000 0.644989 0.897767 I\n0.750000 0.375369 0.733853 O\n0.750000 0.124631 0.233853 O\n0.250000 0.624631 0.266147 O\n0.250000 0.875369 0.766147 O\n","nsites":16,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":4.171569325679477,"density_atomic":0.02811391808273697,"volume":569.1131329654338,"volume_molar":21.420496219265242,"formula_full":"Sr4 I8 O4","formula_reduced":"SrI2O","formula_anonymous":"ABC2","energy":-57.82881816,"energy_per_atom":-3.614301135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.08081816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000638,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.800000Z","spacegroup":62},{"id":"mp-1179200","created_at":"2022-09-04T14:41:03.314594Z","structure_string":"Sr4 I8 O4\n1.0\n4.454761 0.000000 0.000000\n0.000000 8.831706 0.000000\n0.000000 0.000000 13.570569\nSr I O\n4 8 4\ndirect\n0.750000 0.893508 0.151467 Sr\n0.750000 0.606492 0.651467 Sr\n0.250000 0.106492 0.848533 Sr\n0.250000 0.393508 0.348533 Sr\n0.250000 0.185915 0.105611 I\n0.250000 0.314085 0.605611 I\n0.750000 0.814085 0.894389 I\n0.750000 0.685915 0.394389 I\n0.250000 0.562502 0.123702 I\n0.250000 0.937498 0.623702 I\n0.750000 0.437498 0.876298 I\n0.750000 0.062502 0.376298 I\n0.250000 0.787787 0.144851 O\n0.250000 0.712213 0.644851 O\n0.750000 0.212213 0.855149 O\n0.750000 0.287787 0.355149 O\n","nsites":16,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":4.446630096658955,"density_atomic":0.02996766552868933,"volume":533.9087886135981,"volume_molar":20.095461737701083,"formula_full":"Sr4 I8 O4","formula_reduced":"SrI2O","formula_anonymous":"ABC2","energy":-64.10738578,"energy_per_atom":-4.00671161125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.35938578,"band_gap":1.9019,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023533,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.484000Z","spacegroup":62},{"id":"mp-1198471","created_at":"2022-09-04T14:40:21.700670Z","structure_string":"Sr2 I4 O30\n1.0\n6.230150 0.000000 0.000000\n0.428666 10.665526 0.000000\n1.775760 0.806956 10.644980\nSr I O\n2 4 30\ndirect\n0.159043 0.900112 0.235450 Sr\n0.840957 0.099888 0.764550 Sr\n0.266386 0.856183 0.541912 I\n0.733614 0.143817 0.458088 I\n0.291123 0.252550 0.969752 I\n0.708877 0.747450 0.030248 I\n0.033064 0.526523 0.687960 O\n0.966936 0.473477 0.312040 O\n0.090033 0.768439 0.465364 O\n0.909967 0.231561 0.534636 O\n0.102202 0.954574 0.649573 O\n0.897798 0.045426 0.350427 O\n0.557941 0.620933 0.359743 O\n0.442059 0.379067 0.640257 O\n0.439646 0.754120 0.622642 O\n0.560354 0.245880 0.377358 O\n0.399803 0.949988 0.406538 O\n0.600197 0.050012 0.593462 O\n0.487617 0.179236 0.849698 O\n0.512383 0.820764 0.150302 O\n0.262096 0.112934 0.088450 O\n0.737904 0.887066 0.911550 O\n0.517248 0.314500 0.049746 O\n0.482752 0.685500 0.950254 O\n0.146046 0.363616 0.090921 O\n0.853954 0.636384 0.909079 O\n0.346476 0.422122 0.899190 O\n0.653524 0.577878 0.100810 O\n0.051256 0.232477 0.894761 O\n0.948744 0.767523 0.105239 O\n0.152176 0.485442 0.329835 O\n0.847824 0.514558 0.670165 O\n0.736448 0.619321 0.391517 O\n0.263552 0.380679 0.608483 O\n0.907821 0.019783 0.996837 O\n0.092179 0.980217 0.003163 O\n","nsites":36,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":2.729878910795771,"density_atomic":0.05089520513460184,"volume":707.3357874242043,"volume_molar":11.832432434594436,"formula_full":"Sr2 I4 O30","formula_reduced":"SrI2O15","formula_anonymous":"AB2C15","energy":-167.06995885,"energy_per_atom":-4.640832190277778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-162.23995885,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.000233,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.433000Z","spacegroup":2},{"id":"mp-1179560","created_at":"2022-09-04T14:48:01.455249Z","structure_string":"Sr2 I4 O30\n1.0\n6.446153 0.000000 0.000000\n0.344303 10.536093 0.000000\n0.451087 2.256567 10.646750\nSr I O\n2 4 30\ndirect\n0.221556 0.853217 0.211445 Sr\n0.778444 0.146783 0.788555 Sr\n0.249207 0.766607 0.535160 I\n0.750793 0.233393 0.464840 I\n0.274296 0.255209 0.988512 I\n0.725704 0.744791 0.011488 I\n0.138233 0.613973 0.624506 O\n0.861767 0.386027 0.375494 O\n0.022535 0.819723 0.430189 O\n0.977465 0.180277 0.569811 O\n0.145463 0.840725 0.666818 O\n0.854537 0.159275 0.333182 O\n0.383386 0.692603 0.406918 O\n0.616614 0.307397 0.593082 O\n0.510499 0.749843 0.624064 O\n0.489501 0.250157 0.375936 O\n0.348888 0.919688 0.423178 O\n0.651112 0.080312 0.576822 O\n0.445871 0.173508 0.888943 O\n0.554129 0.826492 0.111057 O\n0.232100 0.104695 0.115650 O\n0.767900 0.895305 0.884350 O\n0.499605 0.300841 0.080848 O\n0.500395 0.699159 0.919152 O\n0.158707 0.368778 0.092515 O\n0.841293 0.631222 0.907485 O\n0.350919 0.428489 0.908349 O\n0.649081 0.571511 0.091651 O\n0.037162 0.252928 0.900872 O\n0.962838 0.747072 0.099128 O\n0.291943 0.368996 0.395674 O\n0.708057 0.631004 0.604326 O\n0.689625 0.564366 0.527890 O\n0.310375 0.435634 0.472110 O\n0.973437 0.030371 0.040651 O\n0.026563 0.969629 0.959349 O\n","nsites":36,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":2.6703719287897814,"density_atomic":0.0497857712896944,"volume":723.098167758063,"volume_molar":12.096108193158747,"formula_full":"Sr2 I4 O30","formula_reduced":"SrI2O15","formula_anonymous":"AB2C15","energy":-158.90690326,"energy_per_atom":-4.4140806461111115,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.07690326,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.0305016,"is_theoretical":true,"updated_at":"2021-11-28T01:38:18.708000Z","spacegroup":2},{"id":"mp-731457","created_at":"2022-09-04T14:40:37.133988Z","structure_string":"Sr2 I4 O14\n1.0\n3.995730 6.307229 0.000000\n-3.995730 6.307229 0.000000\n0.000000 5.556823 6.637997\nSr I O\n2 4 14\ndirect\n0.842297 0.157703 0.750000 Sr\n0.157703 0.842297 0.250000 Sr\n0.716178 0.653140 0.294721 I\n0.346860 0.283822 0.205279 I\n0.283822 0.346860 0.705279 I\n0.653140 0.716178 0.794721 I\n0.796760 0.918420 0.126322 O\n0.081580 0.203240 0.373678 O\n0.203240 0.081580 0.873678 O\n0.918420 0.796760 0.626322 O\n0.782811 0.597473 0.493430 O\n0.402527 0.217189 0.006570 O\n0.217189 0.402527 0.506570 O\n0.597473 0.782811 0.993430 O\n0.419894 0.741634 0.406185 O\n0.258366 0.580106 0.093815 O\n0.580106 0.258366 0.593815 O\n0.741634 0.419894 0.906185 O\n0.170171 0.829829 0.750000 O\n0.829829 0.170171 0.250000 O\n","nsites":20,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":4.500725484149835,"density_atomic":0.05977618776830752,"volume":334.58139012678413,"volume_molar":10.074481135099843,"formula_full":"Sr2 I4 O14","formula_reduced":"SrI2O7","formula_anonymous":"AB2C7","energy":-102.39477022,"energy_per_atom":-5.1197385109999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.77677022,"band_gap":0.5311999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998296,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.401000Z","spacegroup":15},{"id":"mp-1218278","created_at":"2022-09-04T14:39:16.499678Z","structure_string":"Sr4 I4 Br4\n1.0\n0.000000 0.000000 -5.131914\n0.000000 -8.169106 0.000000\n-11.030852 0.000000 0.000000\nSr I Br\n4 4 4\ndirect\n0.750000 0.280131 0.578900 Sr\n0.750000 0.780131 0.921100 Sr\n0.250000 0.719869 0.421100 Sr\n0.250000 0.219869 0.078900 Sr\n0.750000 0.367160 0.890479 I\n0.750000 0.867160 0.609521 I\n0.250000 0.632840 0.109521 I\n0.250000 0.132840 0.390479 I\n0.750000 0.517796 0.362840 Br\n0.750000 0.017796 0.137160 Br\n0.250000 0.482204 0.637160 Br\n0.250000 0.982204 0.862840 Br\n","nsites":12,"nelements":3,"elements":["Sr","I","Br"],"chemical_system":"Br-I-Sr","density":4.22888555298153,"density_atomic":0.02594886024451308,"volume":462.4480569445209,"volume_molar":23.207727442570004,"formula_full":"Sr4 I4 Br4","formula_reduced":"SrIBr","formula_anonymous":"ABC","energy":-45.74687073,"energy_per_atom":-3.8122392274999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.09487073,"band_gap":3.9499,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001275,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.027000Z","spacegroup":62},{"id":"mp-1208666","created_at":"2022-09-04T14:40:28.227418Z","structure_string":"Sr4 I4 Cl4\n1.0\n4.539047 0.000000 0.000000\n0.000000 8.448365 0.000000\n0.000000 0.000000 10.341839\nSr I Cl\n4 4 4\ndirect\n0.250000 0.686445 0.629575 Sr\n0.750000 0.313555 0.370425 Sr\n0.750000 0.813555 0.129575 Sr\n0.250000 0.186445 0.870425 Sr\n0.250000 0.501663 0.175754 I\n0.750000 0.498337 0.824246 I\n0.750000 0.998337 0.675754 I\n0.250000 0.001663 0.324246 I\n0.250000 0.847088 0.950086 Cl\n0.750000 0.152912 0.049914 Cl\n0.750000 0.652912 0.450086 Cl\n0.250000 0.347088 0.549914 Cl\n","nsites":12,"nelements":3,"elements":["Sr","I","Cl"],"chemical_system":"Cl-I-Sr","density":4.186728860921103,"density_atomic":0.030258411527808216,"volume":396.58393795628393,"volume_molar":19.902369146065404,"formula_full":"Sr4 I4 Cl4","formula_reduced":"SrICl","formula_anonymous":"ABC","energy":-49.065779240000005,"energy_per_atom":-4.088814936666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.09377924,"band_gap":3.7669,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025658,"is_theoretical":true,"updated_at":"2021-11-28T01:35:06.243000Z","spacegroup":62},{"id":"mp-23046","created_at":"2022-09-04T14:47:07.984375Z","structure_string":"Sr2 I2 F2\n1.0\n4.282306 0.000000 0.000000\n0.000000 4.282306 0.000000\n0.000000 0.000000 9.378448\nSr I F\n2 2 2\ndirect\n0.500000 0.000000 0.145226 Sr\n0.000000 0.500000 0.854774 Sr\n0.500000 0.000000 0.679787 I\n0.000000 0.500000 0.320213 I\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n","nsites":6,"nelements":3,"elements":["Sr","I","F"],"chemical_system":"F-I-Sr","density":4.5094351847167795,"density_atomic":0.03488710086645903,"volume":171.983336275686,"volume_molar":17.261797657109923,"formula_full":"Sr2 I2 F2","formula_reduced":"SrIF","formula_anonymous":"ABC","energy":-28.99920899,"energy_per_atom":-4.833201498333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.317208990000005,"band_gap":4.3096000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002246,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.705000Z","spacegroup":129}]}