{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10133","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-band_gap&page=10131","results":[{"id":"mp-1095204","created_at":"2022-09-04T14:48:08.676180Z","structure_string":"Tm4 Ni4 Sn2\n1.0\n7.272591 0.000000 0.000000\n0.000000 7.272591 0.000000\n0.000000 0.000000 3.666728\nTm Ni Sn\n4 4 2\ndirect\n0.673794 0.173794 0.500000 Tm\n0.326206 0.826206 0.500000 Tm\n0.173794 0.326206 0.500000 Tm\n0.826206 0.673794 0.500000 Tm\n0.879040 0.379040 0.000000 Ni\n0.120960 0.620960 0.000000 Ni\n0.379040 0.120960 0.000000 Ni\n0.620960 0.879040 0.000000 Ni\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n","nsites":10,"nelements":3,"elements":["Tm","Ni","Sn"],"chemical_system":"Ni-Sn-Tm","density":9.828961785212908,"density_atomic":0.05156356984110317,"volume":193.93537008426134,"volume_molar":11.679060969901148,"formula_full":"Tm4 Ni4 Sn2","formula_reduced":"Tm2Ni2Sn","formula_anonymous":"AB2C2","energy":-55.20329171,"energy_per_atom":-5.520329171,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.20329171,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.22e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:31.675000Z","spacegroup":127},{"id":"mp-1247433","created_at":"2022-09-04T14:48:08.793841Z","structure_string":"Ba6 Ni6 N10\n1.0\n6.279599 -0.004326 -0.199882\n-0.723783 7.362569 -0.344989\n-2.453925 -3.388209 8.424395\nBa Ni N\n6 6 10\ndirect\n0.788409 0.375769 0.588073 Ba\n0.211591 0.624231 0.411927 Ba\n0.660992 0.857210 0.886614 Ba\n0.339008 0.142790 0.113386 Ba\n0.672257 0.679159 0.215506 Ba\n0.327743 0.320841 0.784494 Ba\n0.921793 0.327356 0.982560 Ni\n0.078207 0.672644 0.017440 Ni\n0.768020 0.940569 0.609099 Ni\n0.231980 0.059431 0.390901 Ni\n0.053196 0.839789 0.748723 Ni\n0.946804 0.160211 0.251277 Ni\n0.971282 0.090479 0.825695 N\n0.028718 0.909521 0.174305 N\n0.857960 0.703692 0.531745 N\n0.142040 0.296308 0.468255 N\n0.776913 0.505891 0.905461 N\n0.223087 0.494109 0.094539 N\n0.482052 0.051510 0.567355 N\n0.517948 0.948490 0.432645 N\n0.212903 0.736595 0.880300 N\n0.787097 0.263405 0.119700 N\n","nsites":22,"nelements":3,"elements":["Ba","Ni","N"],"chemical_system":"Ba-N-Ni","density":5.781637589612613,"density_atomic":0.05819773193734158,"volume":378.02160441039587,"volume_molar":10.347724145820186,"formula_full":"Ba6 Ni6 N10","formula_reduced":"Ba3Ni3N5","formula_anonymous":"A3B3C5","energy":-136.27495108000002,"energy_per_atom":-6.194315958181819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.66495108,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4202871,"is_theoretical":true,"updated_at":"2021-11-28T01:38:30.467000Z","spacegroup":2},{"id":"mp-18606","created_at":"2022-09-04T14:48:08.804955Z","structure_string":"Er4 Ge8 Ir4\n1.0\n-2.125673 4.447863 8.068977\n2.125673 -4.447863 8.068977\n2.125673 4.447863 -8.068977\nEr Ge Ir\n4 8 4\ndirect\n0.704780 0.204780 0.500000 Er\n0.263874 0.000000 0.263874 Er\n0.295220 0.795220 0.500000 Er\n0.736126 0.000000 0.736126 Er\n0.049271 0.201547 0.847723 Ge\n0.950729 0.798453 0.152277 Ge\n0.646176 0.798453 0.847723 Ge\n0.353824 0.201547 0.152277 Ge\n0.576724 0.576724 0.000000 Ge\n0.922334 0.422334 0.500000 Ge\n0.077666 0.577666 0.500000 Ge\n0.423276 0.423276 0.000000 Ge\n0.605317 0.354954 0.250363 Ir\n0.394683 0.645046 0.749637 Ir\n0.895409 0.645046 0.250363 Ir\n0.104591 0.354954 0.749637 Ir\n","nsites":16,"nelements":3,"elements":["Er","Ge","Ir"],"chemical_system":"Er-Ge-Ir","density":10.986623749648869,"density_atomic":0.052431665771508616,"volume":305.1591011761142,"volume_molar":11.485694134235256,"formula_full":"Er4 Ge8 Ir4","formula_reduced":"ErGe2Ir","formula_anonymous":"ABC2","energy":-103.13789973,"energy_per_atom":-6.446118733125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.13789973,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000265,"is_theoretical":false,"updated_at":"2021-11-28T01:38:34.749000Z","spacegroup":71},{"id":"mp-677516","created_at":"2022-09-04T14:48:08.822660Z","structure_string":"Rb5 N1 O5\n1.0\n20.262816 0.000000 0.000000\n0.000000 4.272703 0.000000\n0.000000 1.111926 5.372535\nRb N O\n5 1 5\ndirect\n0.221138 0.024778 0.019812 Rb\n0.000000 0.999295 0.998252 Rb\n0.778862 0.024778 0.019812 Rb\n0.392123 0.058861 0.079973 Rb\n0.607877 0.058861 0.079973 Rb\n0.500000 0.750312 0.669803 N\n0.500000 0.086745 0.601047 O\n0.500000 0.671114 0.899092 O\n0.500000 0.199839 0.345705 O\n0.711362 0.510209 0.092766 O\n0.288638 0.510209 0.092766 O\n","nsites":11,"nelements":3,"elements":["Rb","N","O"],"chemical_system":"N-O-Rb","density":1.8611896743509624,"density_atomic":0.02364889893780188,"volume":465.1379342831438,"volume_molar":25.464782846079288,"formula_full":"Rb5 N1 O5","formula_reduced":"Rb5NO5","formula_anonymous":"AB5C5","energy":-43.94860599,"energy_per_atom":-3.995327817272727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.14360599,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.005717,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.002000Z","spacegroup":6},{"id":"mp-866289","created_at":"2022-09-04T14:48:08.826276Z","structure_string":"Ac2 Zn1 Si1\n1.0\n0.000000 3.870578 3.870578\n3.870578 0.000000 3.870578\n3.870578 3.870578 0.000000\nAc Zn Si\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Si\n","nsites":4,"nelements":3,"elements":["Ac","Zn","Si"],"chemical_system":"Ac-Si-Zn","density":7.839193618600199,"density_atomic":0.03449074095350253,"volume":115.97315364701669,"volume_molar":17.460166391086045,"formula_full":"Ac2 Zn1 Si1","formula_reduced":"Ac2ZnSi","formula_anonymous":"ABC2","energy":-16.08262298,"energy_per_atom":-4.020655745,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.15362298,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010448,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.264000Z","spacegroup":225},{"id":"mp-1028140","created_at":"2022-09-04T14:48:08.845402Z","structure_string":"Y1 Mg14 Mn1\n1.0\n6.452366 0.051271 0.000000\n-3.181781 5.511005 0.000000\n0.000000 0.000000 10.279132\nY Mg Mn\n1 14 1\ndirect\n0.160005 0.830002 0.125000 Y\n0.165214 0.332606 0.625000 Mg\n0.166919 0.833459 0.625000 Mg\n0.657364 0.337579 0.125000 Mg\n0.666148 0.331431 0.625000 Mg\n0.657364 0.819784 0.125000 Mg\n0.666148 0.834716 0.625000 Mg\n0.332944 0.172428 0.375809 Mg\n0.332944 0.172428 0.874191 Mg\n0.332944 0.660518 0.375809 Mg\n0.332944 0.660518 0.874191 Mg\n0.842111 0.171056 0.363704 Mg\n0.842111 0.171056 0.886296 Mg\n0.831446 0.665723 0.382140 Mg\n0.831446 0.665723 0.867860 Mg\n0.181948 0.340974 0.125000 Mn\n","nsites":16,"nelements":3,"elements":["Y","Mg","Mn"],"chemical_system":"Mg-Mn-Y","density":2.189286299255509,"density_atomic":0.04357384623339458,"volume":367.1927402116215,"volume_molar":13.820539797528108,"formula_full":"Y1 Mg14 Mn1","formula_reduced":"YMg14Mn","formula_anonymous":"ABC14","energy":-37.28208933,"energy_per_atom":-2.330130583125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.28208933,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.973733,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.676000Z","spacegroup":38},{"id":"mp-1185020","created_at":"2022-09-04T14:48:08.849459Z","structure_string":"La1 Ho1 Tl2\n1.0\n0.000000 3.891642 3.891642\n3.891642 0.000000 3.891642\n3.891642 3.891642 0.000000\nLa Ho Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ho\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n","nsites":4,"nelements":3,"elements":["La","Ho","Tl"],"chemical_system":"Ho-La-Tl","density":10.038474750862836,"density_atomic":0.033933710486877953,"volume":117.87688238652197,"volume_molar":17.74677945204,"formula_full":"La1 Ho1 Tl2","formula_reduced":"LaHoTl2","formula_anonymous":"ABC2","energy":-15.74842083,"energy_per_atom":-3.9371052075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.74842083,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003991,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.792000Z","spacegroup":225},{"id":"mp-7006","created_at":"2022-09-04T14:48:08.636059Z","structure_string":"Sr1 Nb1 O3\n1.0\n4.089082 0.000000 0.000000\n0.000000 4.089082 0.000000\n0.000000 0.000000 4.089082\nSr Nb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Sr","Nb","O"],"chemical_system":"Nb-O-Sr","density":5.550147917915039,"density_atomic":0.07312949007948254,"volume":68.37187015204988,"volume_molar":8.23490052160174,"formula_full":"Sr1 Nb1 O3","formula_reduced":"SrNbO3","formula_anonymous":"ABC3","energy":-42.51141832,"energy_per_atom":-8.502283664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.45041832,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006686,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.317000Z","spacegroup":221},{"id":"mp-1196159","created_at":"2022-09-04T14:48:08.612520Z","structure_string":"Tm10 Co8 Si28\n1.0\n7.790310 0.000000 0.000000\n0.000000 7.712230 0.000000\n0.000000 1.889644 12.175158\nTm Co Si\n10 8 28\ndirect\n0.000000 0.000000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.251756 0.157693 0.864934 Tm\n0.751756 0.342307 0.135066 Tm\n0.748244 0.842307 0.135066 Tm\n0.248244 0.657693 0.864934 Tm\n0.248941 0.839715 0.134834 Tm\n0.748941 0.660285 0.865166 Tm\n0.751059 0.160285 0.865166 Tm\n0.251059 0.339715 0.134834 Tm\n0.373735 0.872694 0.499768 Co\n0.873735 0.627306 0.500232 Co\n0.626265 0.127306 0.500232 Co\n0.126265 0.372694 0.499768 Co\n0.999804 0.938988 0.749959 Co\n0.499804 0.561012 0.250041 Co\n0.000196 0.061012 0.250041 Co\n0.500196 0.438988 0.749959 Co\n0.666220 0.834042 0.499485 Si\n0.166220 0.665958 0.500515 Si\n0.333780 0.165958 0.500515 Si\n0.833780 0.334042 0.499485 Si\n0.725815 0.961299 0.678406 Si\n0.225815 0.538701 0.321594 Si\n0.274185 0.038701 0.321594 Si\n0.774185 0.461299 0.678406 Si\n0.994578 0.768579 0.321815 Si\n0.494578 0.731421 0.678185 Si\n0.005422 0.231421 0.678185 Si\n0.505422 0.268579 0.321815 Si\n0.273925 0.950049 0.678290 Si\n0.773925 0.549951 0.321710 Si\n0.726075 0.049951 0.321710 Si\n0.226075 0.450049 0.678290 Si\n0.994397 0.681313 0.678668 Si\n0.494397 0.818687 0.321332 Si\n0.005603 0.318687 0.321332 Si\n0.505603 0.181313 0.678668 Si\n0.499872 0.889005 0.940245 Si\n0.999872 0.610995 0.059755 Si\n0.500128 0.110995 0.059755 Si\n0.000128 0.389005 0.940245 Si\n0.000708 0.890559 0.940314 Si\n0.500708 0.609441 0.059686 Si\n0.999292 0.109441 0.059686 Si\n0.499292 0.390559 0.940314 Si\n","nsites":46,"nelements":3,"elements":["Tm","Co","Si"],"chemical_system":"Co-Si-Tm","density":6.690362227971251,"density_atomic":0.06288520962501981,"volume":731.491558576251,"volume_molar":9.57640245760428,"formula_full":"Tm10 Co8 Si28","formula_reduced":"Tm5(Co2Si7)2","formula_anonymous":"A4B5C14","energy":-281.72981926,"energy_per_atom":-6.124561288260869,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.71781926,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0148849,"is_theoretical":false,"updated_at":"2021-11-28T01:38:27.355000Z","spacegroup":14},{"id":"mp-3190","created_at":"2022-09-04T14:48:08.867391Z","structure_string":"Er1 Fe2 B2\n1.0\n-1.802082 1.802082 4.630205\n1.802082 -1.802082 4.630205\n1.802082 1.802082 -4.630205\nEr Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.656616 0.656616 0.000000 B\n0.343384 0.343384 0.000000 B\n","nsites":5,"nelements":3,"elements":["Er","Fe","B"],"chemical_system":"B-Er-Fe","density":8.298256699419232,"density_atomic":0.08313055804416482,"volume":60.146354332706956,"volume_molar":7.244196239847943,"formula_full":"Er1 Fe2 B2","formula_reduced":"Er(FeB)2","formula_anonymous":"AB2C2","energy":-37.11947076,"energy_per_atom":-7.423894152,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.11947076,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1615109,"is_theoretical":false,"updated_at":"2021-11-28T01:38:32.531000Z","spacegroup":139},{"id":"mp-1186609","created_at":"2022-09-04T14:48:15.926948Z","structure_string":"Pm1 Mg1 Tl2\n1.0\n0.000000 3.779438 3.779438\n3.779438 0.000000 3.779438\n3.779438 3.779438 0.000000\nPm Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n","nsites":4,"nelements":3,"elements":["Pm","Mg","Tl"],"chemical_system":"Mg-Pm-Tl","density":8.890354103995604,"density_atomic":0.037046596884543107,"volume":107.9721306781869,"volume_molar":16.255584227528896,"formula_full":"Pm1 Mg1 Tl2","formula_reduced":"PmMgTl2","formula_anonymous":"ABC2","energy":-12.06169116,"energy_per_atom":-3.01542279,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.06169116,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035239,"is_theoretical":true,"updated_at":"2021-11-28T01:40:04.536000Z","spacegroup":225},{"id":"mp-1114134","created_at":"2022-09-04T14:48:08.867949Z","structure_string":"Rb2 In1 As1 I6\n1.0\n0.000000 6.083502 6.083502\n6.083502 0.000000 6.083502\n6.083502 6.083502 0.000000\nRb In As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.761277 0.238723 0.238723 I\n0.238723 0.238723 0.761277 I\n0.238723 0.761277 0.761277 I\n0.238723 0.761277 0.238723 I\n0.761277 0.238723 0.761277 I\n0.761277 0.761277 0.238723 I\n","nsites":10,"nelements":4,"elements":["Rb","In","As","I"],"chemical_system":"As-I-In-Rb","density":4.137999944300546,"density_atomic":0.022207979037469103,"volume":450.28860947356304,"volume_molar":27.117013888744662,"formula_full":"Rb2 In1 As1 I6","formula_reduced":"Rb2InAsI6","formula_anonymous":"ABC2D6","energy":-28.43275538,"energy_per_atom":-2.843275538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.15875538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003406,"is_theoretical":true,"updated_at":"2021-11-28T01:38:24.965000Z","spacegroup":225}]}