{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=93","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=91","results":[{"id":"mp-1522650","created_at":"2022-09-04T14:39:18.430039Z","structure_string":"Sr1 Ca1 Zr1 Sn1 O6\n1.0\n-0.000000 -4.131122 -4.131122\n4.131122 -0.000000 -4.131122\n4.131122 -4.131122 0.000000\nSr Ca Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 0.000000 Sn\n0.752234 0.247766 0.247766 O\n0.247766 0.752234 0.752234 O\n0.752234 0.247766 0.752234 O\n0.247766 0.752234 0.247766 O\n0.752234 0.752234 0.247766 O\n0.247766 0.247766 0.752234 O\n","nsites":10,"nelements":5,"elements":["Sr","Ca","Zr","Sn","O"],"chemical_system":"Ca-O-Sn-Sr-Zr","density":5.106610780435251,"density_atomic":0.07091954525335986,"volume":141.0048522487705,"volume_molar":8.491510680850986,"formula_full":"Sr1 Ca1 Zr1 Sn1 O6","formula_reduced":"SrCaZrSnO6","formula_anonymous":"ABCDE6","energy":-76.58411135,"energy_per_atom":-7.658411135,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.46211135,"band_gap":3.724,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.111000Z","spacegroup":216},{"id":"mp-1048863","created_at":"2022-09-04T14:44:58.564662Z","structure_string":"Ca2 La2 Cr2 Mo2 O12\n1.0\n5.537642 0.010345 -0.004414\n0.010705 5.739007 0.002249\n-0.017400 0.003121 7.851949\nCa La Cr Mo O\n2 2 2 2 12\ndirect\n0.486136 0.452067 0.750725 Ca\n0.984886 0.048398 0.250729 Ca\n0.013772 0.958177 0.750119 La\n0.512631 0.541399 0.250190 La\n0.000343 0.500522 0.998880 Cr\n0.500649 0.999261 0.499237 Cr\n0.999937 0.497855 0.500522 Mo\n0.499580 0.002159 0.000900 Mo\n0.087553 0.468199 0.249244 O\n0.588300 0.032617 0.749539 O\n0.208057 0.215059 0.953216 O\n0.707499 0.284044 0.452884 O\n0.211222 0.201660 0.545956 O\n0.712293 0.298501 0.045774 O\n0.291917 0.701355 0.952554 O\n0.793547 0.798462 0.452718 O\n0.295957 0.708744 0.548930 O\n0.795442 0.792448 0.048075 O\n0.405016 0.970256 0.250139 O\n0.905259 0.528817 0.749668 O\n","nsites":20,"nelements":5,"elements":["Ca","La","Cr","Mo","O"],"chemical_system":"Ca-Cr-La-Mo-O","density":5.628548684779262,"density_atomic":0.08014810239009723,"volume":249.53803525697842,"volume_molar":7.5137658664568345,"formula_full":"Ca2 La2 Cr2 Mo2 O12","formula_reduced":"CaLaCrMoO6","formula_anonymous":"ABCDE6","energy":-172.13592985000002,"energy_per_atom":-8.606796492500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.48992985,"band_gap":1.5053,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.24e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.460000Z","spacegroup":7},{"id":"mp-1522800","created_at":"2022-09-04T14:42:08.328675Z","structure_string":"Ca1 Eu1 Hf1 W1 O6\n1.0\n0.000000 -4.096094 -4.096094\n4.096094 -0.000000 -4.096094\n4.096094 -4.096094 0.000000\nCa Eu Hf W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 W\n0.749941 0.250059 0.250059 O\n0.250059 0.749941 0.749941 O\n0.749941 0.250059 0.749941 O\n0.250059 0.749941 0.250059 O\n0.749941 0.749941 0.250059 O\n0.250059 0.250059 0.749941 O\n","nsites":10,"nelements":5,"elements":["Ca","Eu","Hf","W","O"],"chemical_system":"Ca-Eu-Hf-O-W","density":7.85721776215935,"density_atomic":0.07275456704545862,"volume":137.4484160389792,"volume_molar":8.277337086257743,"formula_full":"Ca1 Eu1 Hf1 W1 O6","formula_reduced":"CaEuHfWO6","formula_anonymous":"ABCDE6","energy":-95.30291236,"energy_per_atom":-9.530291236,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.74291236,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.9999987,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.053000Z","spacegroup":216},{"id":"mp-1520811","created_at":"2022-09-04T14:46:08.327016Z","structure_string":"K1 La1 Fe1 Sb1 O6\n1.0\n-0.000000 -4.002352 -4.002352\n4.002352 0.000000 -4.002352\n4.002352 -4.002352 -0.000000\nK La Fe Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.000000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 Sb\n0.748525 0.251475 0.251475 O\n0.251475 0.748525 0.748525 O\n0.748525 0.251475 0.748525 O\n0.251475 0.748525 0.251475 O\n0.748525 0.748525 0.251475 O\n0.251475 0.251475 0.748525 O\n","nsites":10,"nelements":5,"elements":["K","La","Fe","Sb","O"],"chemical_system":"Fe-K-La-O-Sb","density":5.848333936227298,"density_atomic":0.0779873494088138,"volume":128.2259247917181,"volume_molar":7.721945681769001,"formula_full":"K1 La1 Fe1 Sb1 O6","formula_reduced":"KLaFeSbO6","formula_anonymous":"ABCDE6","energy":-71.8396974,"energy_per_atom":-7.18396974,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.4616974,"band_gap":1.6969000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0000008,"is_theoretical":true,"updated_at":"2021-11-28T01:37:23.167000Z","spacegroup":216},{"id":"mp-1522103","created_at":"2022-09-04T14:47:18.025244Z","structure_string":"Ba1 Sr1 Ce1 Fe1 O6\n1.0\n0.000000 -4.189259 -4.189259\n4.189259 0.000000 -4.189259\n4.189259 -4.189259 0.000000\nBa Sr Ce Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Fe\n0.737496 0.262504 0.262504 O\n0.262504 0.737496 0.737496 O\n0.737496 0.262504 0.737496 O\n0.262504 0.737496 0.262504 O\n0.737496 0.737496 0.262504 O\n0.262504 0.262504 0.737496 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Ce","Fe","O"],"chemical_system":"Ba-Ce-Fe-O-Sr","density":5.837376383528221,"density_atomic":0.06800774430021295,"volume":147.04207738248257,"volume_molar":8.855080876401225,"formula_full":"Ba1 Sr1 Ce1 Fe1 O6","formula_reduced":"BaSrCeFeO6","formula_anonymous":"ABCDE6","energy":-76.17395765,"energy_per_atom":-7.617395765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.79595765,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999995,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.271000Z","spacegroup":216},{"id":"mp-1173178","created_at":"2022-09-04T14:40:29.001191Z","structure_string":"Sr2 La2 Cu2 Ru2 O12\n1.0\n0.000000 -5.812422 0.000000\n-5.703432 0.000000 -0.009193\n-0.013200 0.000000 -7.708990\nSr La Cu Ru O\n2 2 2 2 12\ndirect\n0.466508 0.503006 0.751633 Sr\n0.033492 0.003006 0.251633 Sr\n0.945713 0.988357 0.753075 La\n0.554287 0.488357 0.253075 La\n0.485300 0.996049 0.002762 Cu\n0.014700 0.496049 0.502762 Cu\n0.490737 0.000064 0.500344 Ru\n0.009263 0.500064 0.000344 Ru\n0.018193 0.407620 0.750913 O\n0.526726 0.067787 0.750323 O\n0.973274 0.567787 0.250323 O\n0.481807 0.907620 0.250913 O\n0.197333 0.783759 0.955093 O\n0.704504 0.731269 0.536564 O\n0.761460 0.208524 0.456527 O\n0.289777 0.313564 0.042767 O\n0.795496 0.231269 0.036564 O\n0.302667 0.283759 0.455093 O\n0.210223 0.813564 0.542767 O\n0.738540 0.708524 0.956527 O\n","nsites":20,"nelements":5,"elements":["Sr","La","Cu","Ru","O"],"chemical_system":"Cu-La-O-Ru-Sr","density":6.330547859025839,"density_atomic":0.07826008334795422,"volume":255.55812292043535,"volume_molar":7.69503494294122,"formula_full":"Sr2 La2 Cu2 Ru2 O12","formula_reduced":"SrLaCuRuO6","formula_anonymous":"ABCDE6","energy":-146.06497789,"energy_per_atom":-7.303248894499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.82097789,"band_gap":0.0137,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0019627,"is_theoretical":true,"updated_at":"2021-11-28T01:34:58.514000Z","spacegroup":7},{"id":"mp-1522403","created_at":"2022-09-04T14:40:20.777628Z","structure_string":"Na1 Pr1 Hf1 Nb1 O6\n1.0\n0.000000 -4.079698 -4.079698\n4.079698 -0.000000 -4.079698\n4.079698 -4.079698 0.000000\nNa Pr Hf Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.747966 0.252034 0.252034 O\n0.252034 0.747966 0.747966 O\n0.747966 0.252034 0.747966 O\n0.252034 0.747966 0.252034 O\n0.747966 0.747966 0.252034 O\n0.252034 0.252034 0.747966 O\n","nsites":10,"nelements":5,"elements":["Na","Pr","Hf","Nb","O"],"chemical_system":"Hf-Na-Nb-O-Pr","density":6.496311773591374,"density_atomic":0.07363528254040735,"volume":135.8044629558188,"volume_molar":8.178335917561464,"formula_full":"Na1 Pr1 Hf1 Nb1 O6","formula_reduced":"NaPrHfNbO6","formula_anonymous":"ABCDE6","energy":-88.06244279,"energy_per_atom":-8.806244279000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.94044279,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003498,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.478000Z","spacegroup":216},{"id":"mp-1520110","created_at":"2022-09-04T14:47:18.174313Z","structure_string":"K1 Sr1 Pr1 Fe1 O6\n1.0\n0.000000 -4.188674 -4.188674\n4.188674 0.000000 -4.188674\n4.188674 -4.188674 0.000000\nK Sr Pr Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Fe\n0.776514 0.223486 0.223486 O\n0.223486 0.776514 0.776514 O\n0.776514 0.223486 0.776514 O\n0.223486 0.776514 0.223486 O\n0.776514 0.776514 0.223486 O\n0.223486 0.223486 0.776514 O\n","nsites":10,"nelements":5,"elements":["K","Sr","Pr","Fe","O"],"chemical_system":"Fe-K-O-Pr-Sr","density":4.739009520416418,"density_atomic":0.06803624264150768,"volume":146.98048586679568,"volume_molar":8.851371748630342,"formula_full":"K1 Sr1 Pr1 Fe1 O6","formula_reduced":"KSrPrFeO6","formula_anonymous":"ABCDE6","energy":-67.52715672,"energy_per_atom":-6.752715671999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.14915672000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999995,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.729000Z","spacegroup":216},{"id":"mp-1522338","created_at":"2022-09-04T14:42:56.188916Z","structure_string":"K1 Ca1 La1 W1 O6\n1.0\n0.000000 -4.299518 -4.299518\n4.299518 0.000000 -4.299518\n4.299518 -4.299518 -0.000000\nK Ca La W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 0.000000 La\n0.500000 0.500000 0.500000 W\n0.726786 0.273214 0.273214 O\n0.273214 0.726786 0.726786 O\n0.726786 0.273214 0.726786 O\n0.273214 0.726786 0.273214 O\n0.726786 0.726786 0.273214 O\n0.273214 0.273214 0.726786 O\n","nsites":10,"nelements":5,"elements":["K","Ca","La","W","O"],"chemical_system":"Ca-K-La-O-W","density":5.201370164653858,"density_atomic":0.06290869699981946,"volume":158.96053291373525,"volume_molar":9.572827044911266,"formula_full":"K1 Ca1 La1 W1 O6","formula_reduced":"KCaLaWO6","formula_anonymous":"ABCDE6","energy":-78.52052450000001,"energy_per_atom":-7.85205245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.9605245,"band_gap":2.9186,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.470000Z","spacegroup":216},{"id":"mp-1517457","created_at":"2022-09-04T14:40:20.930255Z","structure_string":"K1 Ca1 Eu1 W1 O6\n1.0\n-0.000000 -4.222040 -4.222040\n4.222040 0.000000 -4.222040\n4.222040 -4.222040 0.000000\nK Ca Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 W\n0.730751 0.269249 0.269249 O\n0.269249 0.730751 0.730751 O\n0.730751 0.269249 0.730751 O\n0.269249 0.730751 0.269249 O\n0.730751 0.730751 0.269249 O\n0.269249 0.269249 0.730751 O\n","nsites":10,"nelements":5,"elements":["K","Ca","Eu","W","O"],"chemical_system":"Ca-Eu-K-O-W","density":5.637066632616637,"density_atomic":0.06643592309952298,"volume":150.5209762046913,"volume_molar":9.064585060372616,"formula_full":"K1 Ca1 Eu1 W1 O6","formula_reduced":"KCaEuWO6","formula_anonymous":"ABCDE6","energy":-82.24234775000001,"energy_per_atom":-8.224234775000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.68234775,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:34:54.544000Z","spacegroup":216},{"id":"mp-1516248","created_at":"2022-09-04T14:44:14.244108Z","structure_string":"Na1 Ca1 Dy1 Mn1 O6\n1.0\n0.000000 -4.073548 -4.073548\n4.073548 0.000000 -4.073548\n4.073548 -4.073548 0.000000\nNa Ca Dy Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Mn\n0.731408 0.268592 0.268592 O\n0.268592 0.731408 0.731408 O\n0.731408 0.268592 0.731408 O\n0.268592 0.731408 0.268592 O\n0.731408 0.731408 0.268592 O\n0.268592 0.268592 0.731408 O\n","nsites":10,"nelements":5,"elements":["Na","Ca","Dy","Mn","O"],"chemical_system":"Ca-Dy-Mn-Na-O","density":4.624535548238087,"density_atomic":0.07396929679150933,"volume":135.19122708691026,"volume_molar":8.141405990344984,"formula_full":"Na1 Ca1 Dy1 Mn1 O6","formula_reduced":"NaCaDyMnO6","formula_anonymous":"ABCDE6","energy":-70.13314988,"energy_per_atom":-7.013314988,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.34314988,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0014026,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.962000Z","spacegroup":216},{"id":"mp-1639336","created_at":"2022-09-04T14:43:00.484199Z","structure_string":"Ca2 La2 Fe2 Sb2 O12\n1.0\n0.071294 5.603392 0.018326\n-0.019264 0.027457 8.062363\n5.760019 0.072349 -0.013467\nCa La Fe Sb O\n2 2 2 2 12\ndirect\n0.509538 0.252709 0.553764 Ca\n0.020578 0.749337 0.945444 Ca\n0.980503 0.249397 0.050418 La\n0.492990 0.747996 0.450354 La\n0.500154 0.500983 0.999766 Fe\n0.998725 0.000796 0.500311 Fe\n0.001487 0.498817 0.502498 Sb\n0.498239 0.999263 0.997634 Sb\n0.605645 0.761607 0.031995 O\n0.101444 0.260389 0.468878 O\n0.205781 0.948241 0.197886 O\n0.712778 0.450273 0.312129 O\n0.193820 0.552160 0.208692 O\n0.685449 0.058430 0.281275 O\n0.906508 0.738863 0.536409 O\n0.399525 0.238888 0.962165 O\n0.287110 0.548257 0.693749 O\n0.787346 0.051839 0.795393 O\n0.307173 0.941995 0.718356 O\n0.805210 0.449759 0.792885 O\n","nsites":20,"nelements":5,"elements":["Ca","La","Fe","Sb","O"],"chemical_system":"Ca-Fe-La-O-Sb","density":5.777216156920676,"density_atomic":0.07687223152189258,"volume":260.1719711272355,"volume_molar":7.83396115967434,"formula_full":"Ca2 La2 Fe2 Sb2 O12","formula_reduced":"CaLaFeSbO6","formula_anonymous":"ABCDE6","energy":-152.83537489,"energy_per_atom":-7.6417687445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.07937489,"band_gap":2.2547,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0002435,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.401000Z","spacegroup":1}]}