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Title: Materials design of perovskite solid solutions for thermochemical applications


Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see

Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
Report Number(s):
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DOE Contract Number:  
EDCBEE; AC02-05CH11231
Resource Type:
Resource Relation:
Related Information:
Data Type:
Specialized Mix
Country of Publication:
United States
36 MATERIALS SCIENCE; Sr2TiMnO6; Ba7Sr(CuO3)8; ICSD-162925; O3 Rb1 Ta1; La-Mn-O; Ca7MgTiMn7O20; ICSD-162924; BaSr7Fe6(CoO12)2; ICSD-162926; Sr3Ca5Mn7FeO20; Cr-K-Na-O-V; KNaW2O5; ICSD-165076; ICSD-201256; K2Na6V5Mo3O20; Ba2Sr6Ti7MnO24; Sr2TiMnO5; O3 Rb1 W1; La2Cr2O5; Ba-Fe-O-Sr; ICSD-28620; Sr5Ca3Ti5Mn3O20; Sr6Ca2Mn3(FeO4)5; Sr2Mn2O5; Sr5Ca3Ti3Mn5O20; SrCa7TiMn7O20; Sr2Cu2O5; BaSr7Ti8O20; Na2V2O5; Sr5Ca3Ti3Mn5O24; BaSr7Ti8O24; Sr2Ca2FeCo3O10; La7SmCo6(AgO10)2; Cr-Na-O; SrCa7TiMn7O24; Mg2Mn2O5; K-Nb-O; K4Na4Mo3W5O24; Ca7MgMn7FeO20; EuMnO3; Sr3Ca5Mn3Fe5O24; Eu2Cr2O5; Ca7MgMn7FeO24; KVO3; Ba4Sr4CoCu7O24; Ba-Cu-O-Sr; ICSD-99736; Na1 O3 Ta1; SrCaMn2O6; SrCaMn2O5; K5Na3Ta8O24; Sr2Ca6FeCo7O20; La7SmMn6(FeO10)2; Sm2Ag2O5; La7SmMn3(FeO4)5; K5Na3Nb5(WO8)3; K1 Mo1 O3; ICSD-23076; Sr2Ca6FeCo7O24; Cu-Eu-O; EuCoO3; Ba-Mn-O; K5Na3Nb6(WO12)2; La7SmV7CrO20; Ba3Sr5Co3Cu5O24; Cr-Eu-O; La7SmV7CrO24; ICSD-56093; Sr5Ca3Mn6(FeO12)2; NaCrO3; ICSD-56092; Ca7MgCo7CuO24; Ca7MgTiMn7O24; Mg2Cu2O5; Ca7MgCo7CuO20; SrCa3TiMn3O10; Ba-Co-O; Ba3Sr5Co4(CuO5)4; BaSr7Fe6(CoO10)2; ICSD-153174; KNa7V6Cr2O20; SrCa3TiMn3O12; Na2Mo2O5; KNa7V6Cr2O24; La7SmTi2V6O20; Rb2Nb2O5; BaSr7Ti5Mn3O20; SmCuO3; La4Sm4Co7AgO20; La7SmTi2V6O24; BaSr7Ti5Mn3O24; Ca1 O3 Ti1; Sr7CaFe7CoO20; Rb2Cr2O5; La1 Mn1 O3; La4Sm4Co7AgO24; CaCuO3; Sr6Ca2Fe3Co5O24; BaCuO3; ICSD-27970; Sr3Ca(Fe2O5)2; Ca-O-Ti; ICSD-27971; ICSD-27972; ICSD-27973; Sr7CaFe7CoO24; Sr4Ca4Fe3(CoO4)5; K4Na4MoW7O20; O-Rb-Ta; K4Na4MoW7O24; La7SmMn2(Fe3O10)2; La5Sm3Co7CuO24; LaAgO3; La5Sm3Co7CuO20; Sr4Ca4Mn5Fe3O20; Cr-Fe-La-O-Sm; Ba2Fe2O5; ICSD-28850; ICSD-28851; Ba3Sr5Co4(CuO6)4; ICSD-28610; Sr7CaTi5Mn3O20; ICSD-28852; ICSD-28611; Fe-Mg-O; ICSD-28853; ICSD-28612; Ba3Sr5Co3(CuO4)5; ICSD-28854; Sr4Ca4TiMn7O20; Sr7CaTi5Mn3O24; Ba1 Mn1 O3; KNaMo2O5; Ca2Cu2O5; SrCa7Mn7FeO24; Sr6Ca2Fe5Co3O20; SrCa7Mn7FeO20; Mg-Mn-O; ICSD-28613; LaNiO3; ICSD-28614; ICSD-28615; ICSD-28616; Sr2Ca2Fe(CoO4)3; Sr4Ca4TiMn7O24; ICSD-28617; ICSD-28618; SrCuO3; ICSD-28619; Sr2Ca6Fe3(CoO4)5; La7SmMn5Fe3O20; La7SmCo5Cu3O20; Sr6Ca2Fe5(CoO8)3; La7SmMn6(FeO12)2; KNa7V7CrO20; K-Mo-Na-O-V; K-Mo-Na-O-W; La-Mn-O-Sm; Sr3Ca5TiMn7O24; Ba4Sr4Co3Cu5O24; KNa7V7CrO24; Sm2Cu2O5; Mo-O-Rb; Sr3Ca5TiMn7O20; Ba-Fe-O; Cu-La-O; Sr5Ca3Mn6(FeO10)2; ICSD-181652; RbVO3; ICSD-28606; ICSD-28848; ICSD-28607; ICSD-28849; La6Sm2Cr5Fe3O20; ICSD-28608; ICSD-28609; Ba-Fe-Mn-O-Sr; Ba2Sr6Co5Cu3O20; Co2 O5 Sr2; K3Na5V3Mo5O24; La2Co2O5; BaSr7MnFe7O20; Sr2Ca2Mn(FeO4)3; Sr7CaMnFe7O20; K2Cr2O5; Ag-O-Sm; LaSm(NiO3)2; Fe-O-Sm; Ca-Co-Cu-Mg-O; ICSD-154344; ICSD-28918; Co-O-Sm; EuAgO3; Co-O-Sr; Sr7CaMnFe7O24; Sr5Ca3Mn4(FeO5)4; Sr3Ca5Mn4(FeO6)4; Ba2Sr6Co3Cu5O24; BaSr7MnFe7O24; ICSD-65090; ICSD-28917; KCrO3; La7SmMn7FeO20; La7SmCr2(Fe3O10)2; Sr6Ca2Mn5(FeO8)3; K1 O3 W1; Fe-La-O-Sm; KNa3V2(MoO5)2; La7SmCo6(CuO12)2; La7SmMn7FeO24; Ca-Fe-Mg-Mn-O; La-O-Sm-V; Sr7CaFe4(CoO6)4; Ba2Sr2Co(CuO4)3; Mg2Fe2O5; O-Sr-Ti; K-Na-Nb-O-W; MgCoO3; Ba-Mn-O-Sr-Ti; Sr5Ca3Fe2(Co3O10)2; K4Na4Nb3(WO4)5; La2Ni2O5; KNa7V7MoO20; ICSD-77060; KNa7V7MoO24; Ca-Co-Cu-O-Sr; Rb2Ta2O5; Mo-Na-O; Ba2Mn2O5; SrCa3(CoO3)4; Ba-Co-Cu-O-Sr; Eu2Ag2O5; ICSD-166225; La7SmMn3Fe5O24; Sr5Ca3Mn4(FeO6)4; Eu2Mn2O5; ICSD-27965; Eu2V2O5; ICSD-27966; ICSD-27967; ICSD-27968; ICSD-27969; La7SmNi6(AgO12)2; SrCa(CoO3)2; Sr6Ca2Fe3(CoO4)5; La4Sm4Co7CuO20; Ba1 O3 Ti1; La4Sm4Co7CuO24; Sr2Ca2TiMn3O12; Ca-Co-Fe-O-Sr; KNa3V2(MoO6)2; K2W2O5; Sr2Ca2TiMn3O10; ICSD-65089; ICSD-65088; Sr7CaFe4(CoO5)4; Mg2Ti2O5; Sr2Ca6Mn5Fe3O20; Ba1 Fe1 O3; Ba3Sr(CuO3)4; Sr7CaFe5Co3O20; Eu1 O3 V1; Sr5Ca3Fe2(CoO4)6; K4Na4VMo7O20; LaSmNi2O5; Sr2Ca6Mn5(FeO8)3; Sr3CaTi2Mn2O12; Sr3CaTi2Mn2O10; RbCrO3; La7Sm(Fe2O5)4; Sr3Ca5Mn3(FeO4)5; Na2W2O5; Sr2Ca2Mn3FeO12; K5Na3Nb7WO24; Cr1 Eu1 O3; Na2Ta2O5; K5Na3Nb7WO20; SmNiO3; RbNbO3; NaVO3; ICSD-76186; Ca-Cu-O; Sr5Ca3MnFe7O24; LaSm(CoO3)2; Sr2Ca2Co3CuO10; Sr2Ca2Mn3FeO10; Eu2Cu2O5; Sr2Ca2Co3CuO12; KNaMoWO5; Sr5Ca3MnFe7O20; La7SmMn4(FeO6)4; Ca-Co-Fe-Mg-O; KNaMoWO6; La7SmV8O24; Eu2Ti2O5; Sm2Cr2O5; K2Na2Mo3WO10; La5Sm3Ni7AgO24; K2Na2Mo3WO12; Ca-Mn-O-Sr; La7SmCo6(AgO12)2; Ba3Sr(Cu2O5)2; La7SmV8O

Citation Formats

Vieten, Josua, and Persson, Kristin. Materials design of perovskite solid solutions for thermochemical applications. United States: N. p., 2014. Web. doi:10.17188/1475589.
Vieten, Josua, & Persson, Kristin. Materials design of perovskite solid solutions for thermochemical applications. United States. doi:10.17188/1475589.
Vieten, Josua, and Persson, Kristin. Wed . "Materials design of perovskite solid solutions for thermochemical applications". United States. doi:10.17188/1475589.
title = {Materials design of perovskite solid solutions for thermochemical applications},
author = {Vieten, Josua and Persson, Kristin},
abstractNote = {Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see},
doi = {10.17188/1475589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 09 00:00:00 EDT 2014},
month = {Wed Jul 09 00:00:00 EDT 2014}