{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=10172","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=10170","results":[{"id":"mp-1218563","created_at":"2022-09-04T14:48:09.756720Z","structure_string":"Sr4 I1 Br1 N2\n1.0\n-1.998129 -3.460861 0.000000\n3.996258 0.000000 0.000000\n1.998129 -1.153620 15.214532\nSr I Br N\n4 1 1 2\ndirect\n0.615395 0.230789 0.153816 Sr\n0.109676 0.219352 0.670972 Sr\n0.890324 0.780648 0.329028 Sr\n0.384605 0.769211 0.846184 Sr\n0.500000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 Br\n0.252936 0.505872 0.241192 N\n0.747064 0.494128 0.758808 N\n","nsites":8,"nelements":4,"elements":["Sr","I","Br","N"],"chemical_system":"Br-I-N-Sr","density":4.618838057406581,"density_atomic":0.03801838929912835,"volume":210.42448529463127,"volume_molar":15.840073372435246,"formula_full":"Sr4 I1 Br1 N2","formula_reduced":"Sr4IBrN2","formula_anonymous":"ABC2D4","energy":-37.74658862,"energy_per_atom":-4.7183235775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.11158862,"band_gap":1.808,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014642,"is_theoretical":true,"updated_at":"2021-11-28T01:38:32.707000Z","spacegroup":166},{"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-551203","created_at":"2022-09-04T14:46:09.962429Z","structure_string":"Sr4 I4 O2\n1.0\n-3.275363 3.838097 6.556513\n3.275363 -3.838097 6.556513\n3.275363 3.838097 -6.556513\nSr I O\n4 4 2\ndirect\n0.741048 0.411563 0.329485 Sr\n0.258952 0.588437 0.670515 Sr\n0.917921 0.088437 0.829485 Sr\n0.082079 0.911563 0.170515 Sr\n0.497188 0.849408 0.647779 I\n0.201629 0.349408 0.852221 I\n0.502812 0.150592 0.352221 I\n0.798371 0.650592 0.147779 I\n0.000000 0.250000 0.250000 O\n0.000000 0.750000 0.750000 O\n","nsites":10,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":4.483095345799921,"density_atomic":0.030331346952375857,"volume":329.6919195742047,"volume_molar":19.8545114711046,"formula_full":"Sr4 I4 O2","formula_reduced":"Sr2I2O","formula_anonymous":"AB2C2","energy":-47.2037155,"energy_per_atom":-4.72037155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.3137155,"band_gap":3.2812,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001608,"is_theoretical":false,"updated_at":"2021-11-28T01:37:20.740000Z","spacegroup":72},{"id":"mp-689810","created_at":"2022-09-04T14:41:50.065549Z","structure_string":"Sr4 I4 O4\n1.0\n4.150945 0.000000 0.000000\n0.000000 7.711498 0.000000\n0.000000 0.000000 10.949323\nSr I O\n4 4 4\ndirect\n0.250000 0.688705 0.416296 Sr\n0.250000 0.188705 0.083704 Sr\n0.750000 0.311295 0.583704 Sr\n0.750000 0.811295 0.916296 Sr\n0.750000 0.541932 0.173405 I\n0.750000 0.041932 0.326595 I\n0.250000 0.458068 0.826595 I\n0.250000 0.958068 0.673405 I\n0.250000 0.889266 0.022239 O\n0.250000 0.389266 0.477761 O\n0.750000 0.110734 0.977761 O\n0.750000 0.610734 0.522239 O\n","nsites":12,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":4.368697699328505,"density_atomic":0.034237989097184875,"volume":350.48787374567706,"volume_molar":17.589060919746462,"formula_full":"Sr4 I4 O4","formula_reduced":"SrIO","formula_anonymous":"ABC","energy":-55.38249923,"energy_per_atom":-4.615208269166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.11849923,"band_gap":0.0644,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.9991925,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.530000Z","spacegroup":62},{"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-768909","created_at":"2022-09-04T14:47:46.386759Z","structure_string":"Sr4 I8 O24\n1.0\n6.041897 0.000000 0.000000\n0.000000 6.210677 0.000000\n0.000000 0.000000 18.128989\nSr I O\n4 8 24\ndirect\n0.709513 0.171713 0.095972 Sr\n0.209513 0.328287 0.904028 Sr\n0.290487 0.671713 0.404028 Sr\n0.790487 0.828287 0.595972 Sr\n0.971042 0.135594 0.421072 I\n0.253187 0.211721 0.209790 I\n0.753187 0.288279 0.790210 I\n0.471042 0.364406 0.578928 I\n0.028958 0.635594 0.078928 I\n0.746813 0.711721 0.290210 I\n0.246813 0.788279 0.709790 I\n0.528958 0.864406 0.921072 I\n0.107250 0.015187 0.339376 O\n0.052874 0.026788 0.166427 O\n0.499203 0.037352 0.211284 O\n0.469250 0.091961 0.983450 O\n0.842411 0.131545 0.872100 O\n0.701811 0.194089 0.546878 O\n0.201811 0.305911 0.453122 O\n0.342411 0.368455 0.127900 O\n0.969250 0.408039 0.016550 O\n0.999203 0.462648 0.788716 O\n0.552874 0.473212 0.833573 O\n0.607250 0.484813 0.660624 O\n0.892750 0.515187 0.160624 O\n0.947126 0.526788 0.333573 O\n0.500797 0.537352 0.288716 O\n0.530750 0.591961 0.516550 O\n0.157589 0.631545 0.627900 O\n0.298189 0.694089 0.953122 O\n0.798189 0.805911 0.046878 O\n0.657589 0.868455 0.372100 O\n0.030750 0.908039 0.483450 O\n0.000797 0.962648 0.711284 O\n0.447126 0.973212 0.666427 O\n0.392750 0.984813 0.839376 O\n","nsites":36,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":4.270976488848584,"density_atomic":0.05291961239979068,"volume":680.2770913745845,"volume_molar":11.379790000169805,"formula_full":"Sr4 I8 O24","formula_reduced":"Sr(IO3)2","formula_anonymous":"AB2C6","energy":-192.8325235,"energy_per_atom":-5.356458986111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.3445235,"band_gap":3.3968,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.1e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.806000Z","spacegroup":19},{"id":"mp-771750","created_at":"2022-09-04T14:41:11.325594Z","structure_string":"Sr4 I8 O24\n1.0\n11.831068 0.000000 0.000000\n0.000000 7.531156 0.000000\n0.000000 5.433092 7.318059\nSr I O\n4 8 24\ndirect\n0.901369 0.234285 0.992839 Sr\n0.401369 0.765715 0.507161 Sr\n0.598631 0.234285 0.492839 Sr\n0.098631 0.765715 0.007161 Sr\n0.213940 0.317189 0.942027 I\n0.713940 0.682811 0.557973 I\n0.074698 0.763934 0.463105 I\n0.574698 0.236066 0.036895 I\n0.425302 0.763934 0.963105 I\n0.925302 0.236066 0.536895 I\n0.286060 0.317189 0.442027 I\n0.786060 0.682811 0.057973 I\n0.107871 0.120262 0.975101 O\n0.907953 0.373909 0.648745 O\n0.610171 0.480043 0.595574 O\n0.253760 0.448234 0.703961 O\n0.753760 0.551766 0.796039 O\n0.700659 0.060249 0.121354 O\n0.462219 0.032929 0.165772 O\n0.110171 0.519957 0.904426 O\n0.962219 0.967071 0.334228 O\n0.200659 0.939751 0.378646 O\n0.407953 0.626091 0.851255 O\n0.607871 0.879738 0.524899 O\n0.392129 0.120262 0.475101 O\n0.592047 0.373909 0.148745 O\n0.799341 0.060249 0.621354 O\n0.037781 0.032929 0.665772 O\n0.889829 0.480043 0.095574 O\n0.537781 0.967071 0.834228 O\n0.299341 0.939751 0.878646 O\n0.246240 0.448234 0.203961 O\n0.746240 0.551766 0.296039 O\n0.389829 0.519957 0.404426 O\n0.092047 0.626091 0.351255 O\n0.892129 0.879738 0.024899 O\n","nsites":36,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":4.455859887026669,"density_atomic":0.055210413530699755,"volume":652.0509030417278,"volume_molar":10.907617557784437,"formula_full":"Sr4 I8 O24","formula_reduced":"Sr(IO3)2","formula_anonymous":"AB2C6","energy":-193.14758295,"energy_per_atom":-5.3652106375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-176.65958295,"band_gap":3.4178,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001086,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.872000Z","spacegroup":14},{"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-1189257","created_at":"2022-09-04T14:46:27.719803Z","structure_string":"Sr4 I8 O8\n1.0\n0.000000 4.120673 0.000000\n0.000000 0.000000 10.865832\n14.191408 0.000000 0.000000\nSr I O\n4 8 8\ndirect\n0.750000 0.806864 0.123313 Sr\n0.750000 0.306864 0.376687 Sr\n0.250000 0.193136 0.876687 Sr\n0.250000 0.693136 0.623313 Sr\n0.750000 0.590002 0.820065 I\n0.750000 0.090002 0.679935 I\n0.250000 0.409998 0.179935 I\n0.250000 0.909998 0.320065 I\n0.750000 0.127356 0.103667 I\n0.750000 0.627356 0.396333 I\n0.250000 0.872644 0.896333 I\n0.250000 0.372644 0.603667 I\n0.250000 0.808022 0.026382 O\n0.250000 0.308022 0.473618 O\n0.750000 0.191978 0.973618 O\n0.750000 0.691978 0.526382 O\n0.250000 0.776957 0.224385 O\n0.250000 0.276957 0.275615 O\n0.750000 0.223043 0.775615 O\n0.750000 0.723043 0.724385 O\n","nsites":20,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":3.903543657897154,"density_atomic":0.03147555318036322,"volume":635.413772885729,"volume_molar":19.132755905802657,"formula_full":"Sr4 I8 O8","formula_reduced":"Sr(IO)2","formula_anonymous":"AB2C2","energy":-84.81450708,"energy_per_atom":-4.240725354,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.31850708,"band_gap":0.9267,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009627,"is_theoretical":false,"updated_at":"2021-11-28T01:37:37.110000Z","spacegroup":62},{"id":"mp-1179388","created_at":"2022-09-04T14:46:01.545962Z","structure_string":"Sr4 I8 O8\n1.0\n4.772379 0.000000 0.000000\n-0.081127 11.010864 0.000000\n-2.228642 -0.046075 11.634362\nSr I O\n4 8 8\ndirect\n0.387666 0.267123 0.156782 Sr\n0.580253 0.788845 0.358687 Sr\n0.567558 0.715212 0.858199 Sr\n0.382882 0.240546 0.664456 Sr\n0.195333 0.438413 0.917654 I\n0.015009 0.889390 0.622841 I\n0.982213 0.603625 0.122596 I\n0.168444 0.056024 0.424448 I\n0.386903 0.965650 0.119991 I\n0.611647 0.480965 0.375781 I\n0.615999 0.027011 0.880980 I\n0.388133 0.536369 0.617440 I\n0.860207 0.238244 0.100153 O\n0.086860 0.729348 0.378728 O\n0.078581 0.772010 0.879509 O\n0.851510 0.262048 0.598459 O\n0.911812 0.298106 0.204136 O\n0.019455 0.759363 0.261790 O\n0.011132 0.739240 0.761731 O\n0.898403 0.192469 0.695638 O\n","nsites":20,"nelements":3,"elements":["Sr","I","O"],"chemical_system":"I-O-Sr","density":4.05710986074261,"density_atomic":0.03271380785559656,"volume":611.3626419853924,"volume_molar":18.408559427207596,"formula_full":"Sr4 I8 O8","formula_reduced":"Sr(IO)2","formula_anonymous":"AB2C2","energy":-78.29771631,"energy_per_atom":-3.9148858155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.00971631,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2347446,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.628000Z","spacegroup":1}]}