{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10267","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=id&page=10265","results":[{"id":"mp-754757","created_at":"2022-09-04T14:45:08.871583Z","structure_string":"Sb2 Rh2 O8\n1.0\n-3.321961 3.321961 3.169751\n3.321961 -3.321961 3.169751\n3.321961 3.321961 -3.169751\nSb Rh O\n2 2 8\ndirect\n0.253182 0.753182 0.500000 Sb\n0.003182 0.003182 0.000000 Sb\n0.746256 0.246256 0.500000 Rh\n0.496256 0.496256 0.000000 Rh\n0.945241 0.753874 0.191367 O\n0.439049 0.246407 0.192641 O\n0.496407 0.803766 0.307359 O\n0.003874 0.312507 0.308633 O\n0.496407 0.189049 0.692641 O\n0.003874 0.695241 0.691367 O\n0.053766 0.246407 0.807359 O\n0.562507 0.753874 0.808633 O\n","nsites":12,"nelements":3,"elements":["Sb","Rh","O"],"chemical_system":"O-Rh-Sb","density":6.851665722266201,"density_atomic":0.08576439891530291,"volume":139.9181962652203,"volume_molar":7.021725606620525,"formula_full":"Sb2 Rh2 O8","formula_reduced":"SbRhO4","formula_anonymous":"ABC4","energy":-81.35195442,"energy_per_atom":-6.779329535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.85595442,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005912,"is_theoretical":true,"updated_at":"2021-11-28T01:36:57.638000Z","spacegroup":109},{"id":"mp-754758","created_at":"2022-09-04T14:42:41.250637Z","structure_string":"Li4 Fe2 O4 F2\n1.0\n2.967404 -0.000002 -0.000003\n1.483703 -2.569847 -0.000003\n0.000012 -0.000008 -14.491100\nLi Fe O F\n4 2 4 2\ndirect\n0.666667 0.666667 0.666672 Li\n0.666667 0.666667 0.166665 Li\n0.000000 0.000000 0.005541 Li\n0.333333 0.333333 0.327793 Li\n0.333331 0.333334 0.835466 Fe\n0.000003 0.999998 0.497859 Fe\n0.000000 0.000000 0.757592 O\n0.333333 0.333333 0.575730 O\n0.666667 0.666667 0.420014 O\n0.666667 0.666667 0.913319 O\n0.000000 0.000000 0.247556 F\n0.333333 0.333333 0.085794 F\n","nsites":12,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.628175705272978,"density_atomic":0.10859157100678299,"volume":110.50581448214282,"volume_molar":5.545679746749255,"formula_full":"Li4 Fe2 O4 F2","formula_reduced":"Li2FeO2F","formula_anonymous":"ABC2D2","energy":-76.38049409,"energy_per_atom":-6.365041174166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.19649409,"band_gap":1.4225000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.782000Z","spacegroup":164},{"id":"mp-754759","created_at":"2022-09-04T14:43:36.146416Z","structure_string":"Y4 O6\n1.0\n5.358956 -2.914399 0.000000\n5.358956 2.914399 0.000000\n3.773998 0.000000 4.792606\nY O\n4 6\ndirect\n0.641943 0.641943 0.641943 Y\n0.858057 0.858057 0.858057 Y\n0.141943 0.141943 0.141943 Y\n0.358057 0.358057 0.358057 Y\n0.457024 0.750000 0.042976 O\n0.957024 0.542976 0.250000 O\n0.250000 0.957024 0.542976 O\n0.750000 0.042976 0.457024 O\n0.042976 0.457024 0.750000 O\n0.542976 0.250000 0.957024 O\n","nsites":10,"nelements":2,"elements":["Y","O"],"chemical_system":"O-Y","density":5.009462712170952,"density_atomic":0.06679886398933381,"volume":149.70314467618434,"volume_molar":9.015334094546267,"formula_full":"Y4 O6","formula_reduced":"Y2O3","formula_anonymous":"A2B3","energy":-94.74792809,"energy_per_atom":-9.474792809,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.62592809,"band_gap":4.4468,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001072,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.079000Z","spacegroup":167},{"id":"mp-754760","created_at":"2022-09-04T14:45:24.078123Z","structure_string":"Eu1 Re2 O8\n1.0\n3.186180 -5.518626 0.000000\n3.186180 5.518626 0.000000\n0.000000 0.000000 6.524608\nEu Re O\n1 2 8\ndirect\n0.000000 0.000000 0.500000 Eu\n0.333333 0.666667 0.802321 Re\n0.666667 0.333333 0.197679 Re\n0.223111 0.854661 0.713007 O\n0.145339 0.368450 0.713007 O\n0.333333 0.666667 0.068106 O\n0.368450 0.223111 0.286993 O\n0.631550 0.776889 0.713007 O\n0.666667 0.333333 0.931894 O\n0.854661 0.631550 0.286993 O\n0.776889 0.145339 0.286993 O\n","nsites":11,"nelements":3,"elements":["Eu","Re","O"],"chemical_system":"Eu-O-Re","density":4.721277410096797,"density_atomic":0.04794098968884741,"volume":229.44874670701566,"volume_molar":12.561569544320315,"formula_full":"Eu1 Re2 O8","formula_reduced":"Eu(ReO4)2","formula_anonymous":"AB2C8","energy":-102.41719584,"energy_per_atom":-9.310654167272729,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.92119583999998,"band_gap":0.4788,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9982313,"is_theoretical":true,"updated_at":"2021-11-28T01:37:08.610000Z","spacegroup":147},{"id":"mp-754761","created_at":"2022-09-04T14:46:59.526978Z","structure_string":"Sr8 Hf4 O16\n1.0\n5.837877 0.000000 0.000000\n0.000000 5.837877 0.000000\n0.000000 0.000000 12.674718\nSr Hf O\n8 4 16\ndirect\n0.263552 0.763552 0.101708 Sr\n0.263552 0.236448 0.601708 Sr\n0.736448 0.763552 0.601708 Sr\n0.736448 0.236448 0.101708 Sr\n0.763552 0.263552 0.398292 Sr\n0.763552 0.736448 0.898292 Sr\n0.236448 0.263552 0.898292 Sr\n0.236448 0.736448 0.398292 Sr\n0.250000 0.750000 0.750000 Hf\n0.250000 0.250000 0.250000 Hf\n0.750000 0.250000 0.750000 Hf\n0.750000 0.750000 0.250000 Hf\n0.287318 0.212682 0.086829 O\n0.287318 0.787318 0.586829 O\n0.500000 0.000000 0.771217 O\n0.500000 0.000000 0.271217 O\n0.500000 0.500000 0.750000 O\n0.500000 0.500000 0.250000 O\n0.712682 0.212682 0.586829 O\n0.712682 0.787318 0.086829 O\n0.787318 0.287318 0.913171 O\n0.787318 0.712682 0.413171 O\n0.000000 0.000000 0.250000 O\n0.000000 0.500000 0.228783 O\n0.000000 0.000000 0.750000 O\n0.000000 0.500000 0.728783 O\n0.212682 0.712682 0.913171 O\n0.212682 0.287318 0.413171 O\n","nsites":28,"nelements":3,"elements":["Sr","Hf","O"],"chemical_system":"Hf-O-Sr","density":6.423238872297664,"density_atomic":0.06482012212315735,"volume":431.9646289280415,"volume_molar":9.290542138377978,"formula_full":"Sr8 Hf4 O16","formula_reduced":"Sr2HfO4","formula_anonymous":"AB2C4","energy":-233.20732409,"energy_per_atom":-8.328833003214285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-222.21532409,"band_gap":3.9304,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.320000Z","spacegroup":138},{"id":"mp-754762","created_at":"2022-09-04T14:45:29.403675Z","structure_string":"Li4 Mn3 V2 Cr3 O16\n1.0\n5.834406 0.009450 -0.018831\n-2.909039 5.042161 0.000138\n-0.030395 -0.017297 9.416902\nLi Mn V Cr O\n4 3 2 3 16\ndirect\n0.335384 0.667662 0.897521 Li\n0.994106 0.997137 0.996234 Li\n0.997167 0.998629 0.495209 Li\n0.672814 0.336384 0.393524 Li\n0.658510 0.829262 0.215281 Mn\n0.830132 0.660340 0.714309 Mn\n0.830575 0.170463 0.714439 Mn\n0.327460 0.663835 0.491608 V\n0.657947 0.329051 0.992779 V\n0.169968 0.831220 0.213129 Cr\n0.170037 0.338638 0.213223 Cr\n0.339407 0.169656 0.713372 Cr\n0.173227 0.836817 0.596174 O\n0.048367 0.524383 0.341713 O\n0.338417 0.669147 0.106063 O\n0.994066 0.997057 0.307871 O\n0.998294 0.998981 0.807821 O\n0.171792 0.335972 0.596572 O\n0.482902 0.961753 0.338702 O\n0.483198 0.521656 0.338847 O\n0.330881 0.165341 0.099530 O\n0.665441 0.832655 0.597961 O\n0.520139 0.477125 0.843469 O\n0.521329 0.042801 0.842738 O\n0.670345 0.335414 0.607086 O\n0.827233 0.660654 0.097199 O\n0.963732 0.481749 0.838211 O\n0.827128 0.166521 0.097252 O\n","nsites":28,"nelements":5,"elements":["Li","Mn","V","Cr","O"],"chemical_system":"Cr-Li-Mn-O-V","density":4.2306120818342405,"density_atomic":0.10098037026236949,"volume":277.28161351805073,"volume_molar":5.963674667020073,"formula_full":"Li4 Mn3 V2 Cr3 O16","formula_reduced":"Li4Mn3V2Cr3O16","formula_anonymous":"A2B3C3D4E16","energy":-224.64313894,"energy_per_atom":-8.022969247857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.25013894,"band_gap":0.2223999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.9997266,"is_theoretical":true,"updated_at":"2021-11-28T01:37:04.444000Z","spacegroup":8},{"id":"mp-754763","created_at":"2022-09-04T14:45:53.308757Z","structure_string":"Li4 V4 B4 O16\n1.0\n9.573678 0.002047 -0.001302\n-4.785326 6.903567 0.000771\n-0.000711 0.000095 5.200003\nLi V B O\n4 4 4 16\ndirect\n0.231148 0.506219 0.771753 Li\n0.274905 0.506213 0.271875 Li\n0.725141 0.493813 0.271921 Li\n0.768786 0.493831 0.771906 Li\n0.129157 0.804316 0.466094 V\n0.325044 0.195910 0.965978 V\n0.674911 0.804037 0.965990 V\n0.870902 0.195684 0.466204 V\n0.193436 0.770886 0.018449 B\n0.577174 0.770718 0.518224 B\n0.422700 0.229226 0.518262 B\n0.806634 0.229178 0.018436 B\n0.191137 0.929073 0.105554 O\n0.195198 0.721137 0.771120 O\n0.188735 0.667565 0.229499 O\n0.081047 0.315228 0.504317 O\n0.234510 0.315590 0.004278 O\n0.262263 0.071210 0.605484 O\n0.478611 0.667435 0.729239 O\n0.525721 0.721087 0.270858 O\n0.474216 0.278880 0.270931 O\n0.521299 0.332504 0.729267 O\n0.737629 0.928741 0.605572 O\n0.765505 0.684334 0.004332 O\n0.919054 0.684723 0.504322 O\n0.811513 0.332622 0.229430 O\n0.804883 0.278972 0.771074 O\n0.808741 0.070867 0.105593 O\n","nsites":28,"nelements":4,"elements":["Li","V","B","O"],"chemical_system":"B-Li-O-V","density":2.5640741173340174,"density_atomic":0.08145874652705458,"volume":343.7322717788257,"volume_molar":7.392871872880942,"formula_full":"Li4 V4 B4 O16","formula_reduced":"LiVBO4","formula_anonymous":"ABCD4","energy":-222.0804645,"energy_per_atom":-7.9314451607142855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.2884645,"band_gap":2.3978,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0006758,"is_theoretical":true,"updated_at":"2021-11-28T01:37:11.452000Z","spacegroup":37},{"id":"mp-754764","created_at":"2022-09-04T14:40:00.537719Z","structure_string":"Fe4 O4 F4\n1.0\n3.081407 0.000000 0.000000\n0.000000 4.783741 0.000000\n0.000000 0.557865 9.535340\nFe O F\n4 4 4\ndirect\n0.000000 0.946978 0.999974 Fe\n0.000000 0.013307 0.498961 Fe\n0.500000 0.483598 0.248562 Fe\n0.500000 0.558928 0.749945 Fe\n0.500000 0.802965 0.902676 O\n0.000000 0.682149 0.157740 O\n0.000000 0.709724 0.646721 O\n0.000000 0.295921 0.352474 O\n0.500000 0.813137 0.405291 F\n0.000000 0.308090 0.845383 F\n0.500000 0.182974 0.091430 F\n0.500000 0.202229 0.600844 F\n","nsites":12,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.292859844837407,"density_atomic":0.08537453275383931,"volume":140.55713821122328,"volume_molar":7.053790592756342,"formula_full":"Fe4 O4 F4","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-85.64322721,"energy_per_atom":-7.136935600833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.02322721,"band_gap":1.1254000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9979788,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.762000Z","spacegroup":6},{"id":"mp-754765","created_at":"2022-09-04T14:45:22.160771Z","structure_string":"Fe4 O4\n1.0\n1.701660 -2.947362 0.000000\n1.701660 2.947362 0.000000\n0.000000 0.000000 10.717668\nFe O\n4 4\ndirect\n0.333333 0.666667 0.971742 Fe\n0.000000 0.000000 0.223664 Fe\n0.000000 0.000000 0.723664 Fe\n0.666667 0.333333 0.471742 Fe\n0.333333 0.666667 0.777449 O\n0.000000 0.000000 0.527144 O\n0.000000 0.000000 0.027144 O\n0.666667 0.333333 0.277449 O\n","nsites":8,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":4.438798650362561,"density_atomic":0.07441378948677714,"volume":107.50695610551523,"volume_molar":8.092775279331928,"formula_full":"Fe4 O4","formula_reduced":"FeO","formula_anonymous":"AB","energy":-61.82111703,"energy_per_atom":-7.72763962875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.04911703,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.1512173,"is_theoretical":true,"updated_at":"2021-11-28T01:37:05.218000Z","spacegroup":186},{"id":"mp-754766","created_at":"2022-09-04T14:45:59.227967Z","structure_string":"Li1 V1 F4\n1.0\n1.562670 5.257214 0.000000\n-1.562670 5.257214 0.000000\n0.000000 2.674162 4.805040\nLi V F\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.615442 0.615442 0.024149 F\n0.908492 0.908492 0.398587 F\n0.384558 0.384558 0.975851 F\n0.091508 0.091508 0.601413 F\n","nsites":6,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.8158029383741168,"density_atomic":0.0759978518879011,"volume":78.94959990250992,"volume_molar":7.924093392643282,"formula_full":"Li1 V1 F4","formula_reduced":"LiVF4","formula_anonymous":"ABC4","energy":-37.5300643,"energy_per_atom":-6.255010716666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.9820643,"band_gap":1.8449,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000026,"is_theoretical":true,"updated_at":"2021-11-28T01:37:16.364000Z","spacegroup":12},{"id":"mp-754767","created_at":"2022-09-04T14:42:12.637955Z","structure_string":"Fe3 Sn2 S8\n1.0\n-3.477204 3.686483 5.044257\n3.477204 -3.686483 5.044257\n3.477204 3.686483 -5.044257\nFe Sn S\n3 2 8\ndirect\n0.630002 0.367435 0.737433 Fe\n0.245115 0.745115 0.500000 Fe\n0.630002 0.892569 0.262567 Fe\n0.112535 0.373942 0.738593 Sn\n0.635349 0.373942 0.261407 Sn\n0.395562 0.138295 0.742734 S\n0.409090 0.628955 0.780136 S\n0.828929 0.121980 0.706948 S\n0.415032 0.121980 0.293052 S\n0.852002 0.615852 0.763851 S\n0.852002 0.088151 0.236149 S\n0.395562 0.652828 0.257266 S\n0.848819 0.628955 0.219864 S\n","nsites":13,"nelements":3,"elements":["Fe","Sn","S"],"chemical_system":"Fe-S-Sn","density":4.246810961923718,"density_atomic":0.050262461050606465,"volume":258.6423292506713,"volume_molar":11.981388563398523,"formula_full":"Fe3 Sn2 S8","formula_reduced":"Fe3(SnS4)2","formula_anonymous":"A2B3C8","energy":-74.71909536,"energy_per_atom":-5.74762272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.69509536,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.003938,"is_theoretical":true,"updated_at":"2021-11-28T01:35:40.179000Z","spacegroup":44},{"id":"mp-754768","created_at":"2022-09-04T14:46:59.242739Z","structure_string":"Tb4 Pt4 O14\n1.0\n0.000000 5.157684 5.157684\n5.157684 0.000000 5.157684\n5.157684 5.157684 0.000000\nTb Pt O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Tb\n0.625000 0.625000 0.625000 Tb\n0.625000 0.125000 0.625000 Tb\n0.125000 0.625000 0.625000 Tb\n0.125000 0.125000 0.125000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n0.034591 0.465409 0.465409 O\n0.784591 0.784591 0.215409 O\n0.784591 0.215409 0.215409 O\n0.465409 0.034591 0.465409 O\n0.034591 0.465409 0.034591 O\n0.750000 0.750000 0.750000 O\n0.034591 0.034591 0.465409 O\n0.215409 0.784591 0.215409 O\n0.215409 0.215409 0.784591 O\n0.500000 0.500000 0.500000 O\n0.784591 0.215409 0.784591 O\n0.465409 0.034591 0.034591 O\n0.465409 0.465409 0.034591 O\n0.215409 0.784591 0.784591 O\n","nsites":22,"nelements":3,"elements":["Tb","Pt","O"],"chemical_system":"O-Pt-Tb","density":9.924449777654742,"density_atomic":0.08017306633232181,"volume":274.4063687025363,"volume_molar":7.511426262577874,"formula_full":"Tb4 Pt4 O14","formula_reduced":"Tb2Pt2O7","formula_anonymous":"A2B2C7","energy":-165.99801266,"energy_per_atom":-7.545364211818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.38001266,"band_gap":1.3893,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000471,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.503000Z","spacegroup":227}]}