perovskite atlas Structures, modes and phase transitions · Josu M. Igartua · UPV/EHU

Modes

Symmetry-mode decompositions across the corpus. Amplitudes are comparable only within one normalization convention.

structure parent primary irreps (Å) software convention
BaLa2CuTi2O9 I4/mcm 300 K Pm3m R4+ -0.27(6) AMPLIMODES amplimodes-cell
BaNd2CuTi2O9 I4/mcm 300 K Pm3m R4+ -0.35(9) AMPLIMODES amplimodes-cell
BaPr2CuTi2O9 I4/mcm 300 K Pm3m R4+ -0.37(8) AMPLIMODES amplimodes-cell
CaNd2CuTi2O9 Pbnm 300 K Pm3m R4+ 1.26(1), M3+ 0.96(1) AMPLIMODES amplimodes-cell
CaPr2CuTi2O9 Pbnm 300 K Pm3m R4+ 1.20(1), M3+ 1.03(1) AMPLIMODES amplimodes-cell
CaSm2CuTi2O9 Pbnm 300 K Pm3m R4+ 1.40(4), M3+ 1.09(4) AMPLIMODES amplimodes-cell
Sr2Co0.5Mg0.5TeO6 I2/m 300 K Fm3m GM4+ 0.6174(6) AMPLIMODES amplimodes-cell
Sr2Co0.8Mg0.2TeO6 I2/m 300 K Fm3m GM4+ 0.5741(3) AMPLIMODES amplimodes-cell
Sr2Co0.9Mg0.1TeO6 P21/n 300 K Fm3m GM4+ 0.7770(1), X3+ 0.1737(5) AMPLIMODES amplimodes-cell
Sr2CoTeO6 P21/n 300 K Fm3m GM4+ 0.7941(1), X3+ 0.2680(1) AMPLIMODES amplimodes-cell
Sr2DySbO6 P21/n 300 K Fm3m GM4+ 1.20(1), X3+ 0.90(7) AMPLIMODES amplimodes-cell
Sr2ErSbO6 P21/n 300 K Fm3m GM4+ 1.15(6), X3+ 0.81(2) AMPLIMODES amplimodes-cell
Sr2EuSbO6 P21/n 300 K Fm3m GM4+ 1.31(5), X3+ 0.97(2) AMPLIMODES amplimodes-cell
Sr2GdSbO6 P21/n 300 K Fm3m GM4+ 1.29(2), X3+ 0.96(1) AMPLIMODES amplimodes-cell
Sr2HoSbO6 P21/n 300 K Fm3m GM4+ 1.21(8), X3+ 0.87(5) AMPLIMODES amplimodes-cell
Sr2NdSbO6 P21/n 300 K Fm3m GM4+ 1.42(2), X3+ 1.02(1) AMPLIMODES amplimodes-cell
Sr2TmSbO6 P21/n 300 K Fm3m GM4+ 1.10(1), X3+ 0.80(1) AMPLIMODES amplimodes-cell
Sr2YbSbO6 P21/n 300 K Fm3m GM4+ 1.02(4), X3+ 0.71(2) AMPLIMODES amplimodes-cell
Sr2YSbO6 P21/n 300 K Fm3m GM4+ 1.21(7), X3+ 0.82(4) AMPLIMODES amplimodes-cell
SrLaFeRuO6 Pbnm 300 K Pm3m R4+ 0.980(4), M3+ 0.494(7) AMPLIMODES amplimodes-cell
SrLaMgRuO6 P21/n 300 K Fm3m GM4+ 0.91(4), X3+ 0.44(4) AMPLIMODES amplimodes-cell
SrLaZnRuO6 P21/n 300 K Fm3m GM4+ 1.055(3), X3+ 0.670(5) AMPLIMODES amplimodes-cell
SrNdCoRuO6 P21/n 300 K Fm3m GM4+ 1.122(4), X3+ 0.790(5) AMPLIMODES amplimodes-cell
SrNdFeRuO6 Pbnm 300 K Pm3m R4+ 1.133(4), M3+ 0.627(5) AMPLIMODES amplimodes-cell
SrNdMgRuO6 P21/n 300 K Fm3m GM4+ 1.109(4), X3+ 0.737(5) AMPLIMODES amplimodes-cell
SrNdNiRuO6 P21/n 300 K Fm3m GM4+ 1.152(5), X3+ 0.733(6) AMPLIMODES amplimodes-cell
SrNdZnRuO6 P21/n 300 K Fm3m GM4+ 1.200(3), X3+ 0.855(4) AMPLIMODES amplimodes-cell
SrPrCoRuO6 P21/n 300 K Fm3m GM4+ 1.094(4), X3+ 0.777(5) AMPLIMODES amplimodes-cell
SrPrFeRuO6 Pbnm 300 K Pm3m R4+ 1.085(4), M3+ 0.627(4) AMPLIMODES amplimodes-cell
SrPrMgRuO6 P21/n 300 K Fm3m GM4+ 1.026(4), X3+ 0.737(6) AMPLIMODES amplimodes-cell
SrPrNiRuO6 P21/n 300 K Fm3m GM4+ 1.075(4), X3+ 0.761(5) AMPLIMODES amplimodes-cell
SrPrZnRuO6 P21/n 300 K Fm3m GM4+ 1.155(4), X3+ 0.843(5) AMPLIMODES amplimodes-cell

GM1+

structure parent amplitude (Å) role convention
Sr2Co0.5Mg0.5TeO6 I2/m 300 K Fm3m 0.1102(3) amplimodes-cell
Sr2Co0.8Mg0.2TeO6 I2/m 300 K Fm3m 0.0622(3) amplimodes-cell
Sr2Co0.9Mg0.1TeO6 P21/n 300 K Fm3m 0.1833(4) amplimodes-cell
Sr2CoTeO6 P21/n 300 K Fm3m 0.1825(4) amplimodes-cell
SrLaMgRuO6 P21/n 300 K Fm3m 0.1(1) amplimodes-cell
SrLaZnRuO6 P21/n 300 K Fm3m 0.06(1) amplimodes-cell
SrNdCoRuO6 P21/n 300 K Fm3m 0.07(8) amplimodes-cell
SrNdMgRuO6 P21/n 300 K Fm3m 0.00(2) amplimodes-cell
SrNdNiRuO6 P21/n 300 K Fm3m 0.02(2) amplimodes-cell
SrNdZnRuO6 P21/n 300 K Fm3m 0.04(1) amplimodes-cell
SrPrCoRuO6 P21/n 300 K Fm3m 0.026(7) amplimodes-cell
SrPrMgRuO6 P21/n 300 K Fm3m 0.00(2) amplimodes-cell
SrPrNiRuO6 P21/n 300 K Fm3m 0.00(1) amplimodes-cell
SrPrZnRuO6 P21/n 300 K Fm3m 0.04(1) amplimodes-cell

GM3+

structure parent amplitude (Å) role convention
Sr2Co0.5Mg0.5TeO6 I2/m 300 K Fm3m 0.0075(6) amplimodes-cell
Sr2Co0.8Mg0.2TeO6 I2/m 300 K Fm3m 0.0943(1) amplimodes-cell
Sr2Co0.9Mg0.1TeO6 P21/n 300 K Fm3m 0.0007(1) amplimodes-cell
Sr2CoTeO6 P21/n 300 K Fm3m 0.0173(2) amplimodes-cell
SrLaMgRuO6 P21/n 300 K Fm3m 0.1(1) amplimodes-cell
SrLaZnRuO6 P21/n 300 K Fm3m 0.04(2) amplimodes-cell
SrNdCoRuO6 P21/n 300 K Fm3m 0.06(2) amplimodes-cell
SrNdMgRuO6 P21/n 300 K Fm3m 0.03(2) amplimodes-cell
SrNdNiRuO6 P21/n 300 K Fm3m 0.11(2) amplimodes-cell
SrNdZnRuO6 P21/n 300 K Fm3m 0.07(1) amplimodes-cell
SrPrCoRuO6 P21/n 300 K Fm3m 0.02(2) amplimodes-cell
SrPrMgRuO6 P21/n 300 K Fm3m 0.04(3) amplimodes-cell
SrPrNiRuO6 P21/n 300 K Fm3m 0.03(1) amplimodes-cell
SrPrZnRuO6 P21/n 300 K Fm3m 0.04(2) amplimodes-cell

GM4+

structure parent amplitude (Å) role convention
Sr2Co0.5Mg0.5TeO6 I2/m 300 K Fm3m 0.6174(6) primary amplimodes-cell
Sr2Co0.8Mg0.2TeO6 I2/m 300 K Fm3m 0.5741(3) primary amplimodes-cell
Sr2Co0.9Mg0.1TeO6 P21/n 300 K Fm3m 0.7770(1) primary amplimodes-cell
Sr2CoTeO6 P21/n 300 K Fm3m 0.7941(1) primary amplimodes-cell
Sr2DySbO6 P21/n 300 K Fm3m 1.20(1) primary amplimodes-cell
Sr2ErSbO6 P21/n 300 K Fm3m 1.15(6) primary amplimodes-cell
Sr2EuSbO6 P21/n 300 K Fm3m 1.31(5) primary amplimodes-cell
Sr2GdSbO6 P21/n 300 K Fm3m 1.29(2) primary amplimodes-cell
Sr2HoSbO6 P21/n 300 K Fm3m 1.21(8) primary amplimodes-cell
Sr2NdSbO6 P21/n 300 K Fm3m 1.42(2) primary amplimodes-cell
Sr2TmSbO6 P21/n 300 K Fm3m 1.10(1) primary amplimodes-cell
Sr2YbSbO6 P21/n 300 K Fm3m 1.02(4) primary amplimodes-cell
Sr2YSbO6 P21/n 300 K Fm3m 1.21(7) primary amplimodes-cell
SrLaMgRuO6 P21/n 300 K Fm3m 0.91(4) primary amplimodes-cell
SrLaZnRuO6 P21/n 300 K Fm3m 1.055(3) primary amplimodes-cell
SrNdCoRuO6 P21/n 300 K Fm3m 1.122(4) primary amplimodes-cell
SrNdMgRuO6 P21/n 300 K Fm3m 1.109(4) primary amplimodes-cell
SrNdNiRuO6 P21/n 300 K Fm3m 1.152(5) primary amplimodes-cell
SrNdZnRuO6 P21/n 300 K Fm3m 1.200(3) primary amplimodes-cell
SrPrCoRuO6 P21/n 300 K Fm3m 1.094(4) primary amplimodes-cell
SrPrMgRuO6 P21/n 300 K Fm3m 1.026(4) primary amplimodes-cell
SrPrNiRuO6 P21/n 300 K Fm3m 1.075(4) primary amplimodes-cell
SrPrZnRuO6 P21/n 300 K Fm3m 1.155(4) primary amplimodes-cell

GM5+

structure parent amplitude (Å) role convention
Sr2Co0.5Mg0.5TeO6 I2/m 300 K Fm3m 0.0866(5) amplimodes-cell
Sr2Co0.8Mg0.2TeO6 I2/m 300 K Fm3m 0.0765(5) amplimodes-cell
Sr2Co0.9Mg0.1TeO6 P21/n 300 K Fm3m 0.0630(1) amplimodes-cell
Sr2CoTeO6 P21/n 300 K Fm3m 0.0230(1) amplimodes-cell
SrLaMgRuO6 P21/n 300 K Fm3m 0.4(1) amplimodes-cell
SrLaZnRuO6 P21/n 300 K Fm3m 0.15(2) amplimodes-cell
SrNdCoRuO6 P21/n 300 K Fm3m 0.163(1) amplimodes-cell
SrNdMgRuO6 P21/n 300 K Fm3m 0.19(1) amplimodes-cell
SrNdNiRuO6 P21/n 300 K Fm3m 0.23(2) amplimodes-cell
SrNdZnRuO6 P21/n 300 K Fm3m 0.194(9) amplimodes-cell
SrPrCoRuO6 P21/n 300 K Fm3m 0.11(2) amplimodes-cell
SrPrMgRuO6 P21/n 300 K Fm3m 0.18(2) amplimodes-cell
SrPrNiRuO6 P21/n 300 K Fm3m 0.10(2) amplimodes-cell
SrPrZnRuO6 P21/n 300 K Fm3m 0.16(2) amplimodes-cell

M2+

structure parent amplitude (Å) role convention
CaNd2CuTi2O9 Pbnm 300 K Pm3m 0.01(1) amplimodes-cell
CaPr2CuTi2O9 Pbnm 300 K Pm3m 0.01(1) amplimodes-cell
CaSm2CuTi2O9 Pbnm 300 K Pm3m 0.07(4) amplimodes-cell
SrLaFeRuO6 Pbnm 300 K Pm3m 0.01(1) amplimodes-cell
SrNdFeRuO6 Pbnm 300 K Pm3m 0.021(9) amplimodes-cell
SrPrFeRuO6 Pbnm 300 K Pm3m 0.01(1) amplimodes-cell

M3+

structure parent amplitude (Å) role convention
CaNd2CuTi2O9 Pbnm 300 K Pm3m 0.96(1) primary amplimodes-cell
CaPr2CuTi2O9 Pbnm 300 K Pm3m 1.03(1) primary amplimodes-cell
CaSm2CuTi2O9 Pbnm 300 K Pm3m 1.09(4) primary amplimodes-cell
SrLaFeRuO6 Pbnm 300 K Pm3m 0.494(7) primary amplimodes-cell
SrNdFeRuO6 Pbnm 300 K Pm3m 0.627(5) primary amplimodes-cell
SrPrFeRuO6 Pbnm 300 K Pm3m 0.627(4) primary amplimodes-cell

R4+

structure parent amplitude (Å) role convention
BaLa2CuTi2O9 I4/mcm 300 K Pm3m -0.27(6) primary amplimodes-cell
BaNd2CuTi2O9 I4/mcm 300 K Pm3m -0.35(9) primary amplimodes-cell
BaPr2CuTi2O9 I4/mcm 300 K Pm3m -0.37(8) primary amplimodes-cell
CaNd2CuTi2O9 Pbnm 300 K Pm3m 1.26(1) primary amplimodes-cell
CaPr2CuTi2O9 Pbnm 300 K Pm3m 1.20(1) primary amplimodes-cell
CaSm2CuTi2O9 Pbnm 300 K Pm3m 1.40(4) primary amplimodes-cell
SrLaFeRuO6 Pbnm 300 K Pm3m 0.980(4) primary amplimodes-cell
SrNdFeRuO6 Pbnm 300 K Pm3m 1.133(4) primary amplimodes-cell
SrPrFeRuO6 Pbnm 300 K Pm3m 1.085(4) primary amplimodes-cell

R5+

structure parent amplitude (Å) role convention
CaNd2CuTi2O9 Pbnm 300 K Pm3m 0.04(1) amplimodes-cell
CaPr2CuTi2O9 Pbnm 300 K Pm3m 0.03(1) amplimodes-cell
CaSm2CuTi2O9 Pbnm 300 K Pm3m -0.04(4) amplimodes-cell
SrLaFeRuO6 Pbnm 300 K Pm3m 0.07(1) amplimodes-cell
SrNdFeRuO6 Pbnm 300 K Pm3m 0.193(7) amplimodes-cell
SrPrFeRuO6 Pbnm 300 K Pm3m 0.165(7) amplimodes-cell

X2+

structure parent amplitude (Å) role convention
Sr2Co0.9Mg0.1TeO6 P21/n 300 K Fm3m 0.0165(5) amplimodes-cell
Sr2CoTeO6 P21/n 300 K Fm3m 0.0074(5) amplimodes-cell
SrLaMgRuO6 P21/n 300 K Fm3m 0.04(7) amplimodes-cell
SrLaZnRuO6 P21/n 300 K Fm3m 0.000(7) amplimodes-cell
SrNdCoRuO6 P21/n 300 K Fm3m 0.036(7) amplimodes-cell
SrNdMgRuO6 P21/n 300 K Fm3m 0.041(8) amplimodes-cell
SrNdNiRuO6 P21/n 300 K Fm3m 0.036(8) amplimodes-cell
SrNdZnRuO6 P21/n 300 K Fm3m 0.012(4) amplimodes-cell
SrPrCoRuO6 P21/n 300 K Fm3m 0.021(9) amplimodes-cell
SrPrMgRuO6 P21/n 300 K Fm3m 0.012(9) amplimodes-cell
SrPrNiRuO6 P21/n 300 K Fm3m 0.011(8) amplimodes-cell
SrPrZnRuO6 P21/n 300 K Fm3m 0.006(6) amplimodes-cell

X3+

structure parent amplitude (Å) role convention
Sr2Co0.9Mg0.1TeO6 P21/n 300 K Fm3m 0.1737(5) primary amplimodes-cell
Sr2CoTeO6 P21/n 300 K Fm3m 0.2680(1) primary amplimodes-cell
Sr2DySbO6 P21/n 300 K Fm3m 0.90(7) primary amplimodes-cell
Sr2ErSbO6 P21/n 300 K Fm3m 0.81(2) primary amplimodes-cell
Sr2EuSbO6 P21/n 300 K Fm3m 0.97(2) primary amplimodes-cell
Sr2GdSbO6 P21/n 300 K Fm3m 0.96(1) primary amplimodes-cell
Sr2HoSbO6 P21/n 300 K Fm3m 0.87(5) primary amplimodes-cell
Sr2NdSbO6 P21/n 300 K Fm3m 1.02(1) primary amplimodes-cell
Sr2TmSbO6 P21/n 300 K Fm3m 0.80(1) primary amplimodes-cell
Sr2YbSbO6 P21/n 300 K Fm3m 0.71(2) primary amplimodes-cell
Sr2YSbO6 P21/n 300 K Fm3m 0.82(4) primary amplimodes-cell
SrLaMgRuO6 P21/n 300 K Fm3m 0.44(4) primary amplimodes-cell
SrLaZnRuO6 P21/n 300 K Fm3m 0.670(5) primary amplimodes-cell
SrNdCoRuO6 P21/n 300 K Fm3m 0.790(5) primary amplimodes-cell
SrNdMgRuO6 P21/n 300 K Fm3m 0.737(5) primary amplimodes-cell
SrNdNiRuO6 P21/n 300 K Fm3m 0.733(6) primary amplimodes-cell
SrNdZnRuO6 P21/n 300 K Fm3m 0.855(4) primary amplimodes-cell
SrPrCoRuO6 P21/n 300 K Fm3m 0.777(5) primary amplimodes-cell
SrPrMgRuO6 P21/n 300 K Fm3m 0.737(6) primary amplimodes-cell
SrPrNiRuO6 P21/n 300 K Fm3m 0.761(5) primary amplimodes-cell
SrPrZnRuO6 P21/n 300 K Fm3m 0.843(5) primary amplimodes-cell

X5+

structure parent amplitude (Å) role convention
CaNd2CuTi2O9 Pbnm 300 K Pm3m 0.21(1) amplimodes-cell
CaPr2CuTi2O9 Pbnm 300 K Pm3m 0.24(1) amplimodes-cell
CaSm2CuTi2O9 Pbnm 300 K Pm3m 0.36(3) amplimodes-cell
Sr2Co0.9Mg0.1TeO6 P21/n 300 K Fm3m 0.0469(5) amplimodes-cell
Sr2CoTeO6 P21/n 300 K Fm3m 0.0032(2) amplimodes-cell
Sr2DySbO6 P21/n 300 K Fm3m 0.45(4) amplimodes-cell
Sr2ErSbO6 P21/n 300 K Fm3m 0.35(1) amplimodes-cell
Sr2EuSbO6 P21/n 300 K Fm3m 0.48(1) amplimodes-cell
Sr2GdSbO6 P21/n 300 K Fm3m 0.45(1) amplimodes-cell
Sr2HoSbO6 P21/n 300 K Fm3m 0.41(2) amplimodes-cell
Sr2NdSbO6 P21/n 300 K Fm3m 0.56(4) amplimodes-cell
Sr2TmSbO6 P21/n 300 K Fm3m 0.35(1) amplimodes-cell
Sr2YbSbO6 P21/n 300 K Fm3m 0.29(6) amplimodes-cell
Sr2YSbO6 P21/n 300 K Fm3m 0.38(3) amplimodes-cell
SrLaFeRuO6 Pbnm 300 K Pm3m 0.201(8) amplimodes-cell
SrLaMgRuO6 P21/n 300 K Fm3m 0.17(6) amplimodes-cell
SrLaZnRuO6 P21/n 300 K Fm3m 0.306(6) amplimodes-cell
SrNdCoRuO6 P21/n 300 K Fm3m 0.365(5) amplimodes-cell
SrNdFeRuO6 Pbnm 300 K Pm3m 0.344(4) amplimodes-cell
SrNdMgRuO6 P21/n 300 K Fm3m 0.336(6) amplimodes-cell
SrNdNiRuO6 P21/n 300 K Fm3m 0.376(6) amplimodes-cell
SrNdZnRuO6 P21/n 300 K Fm3m 0.425(3) amplimodes-cell
SrPrCoRuO6 P21/n 300 K Fm3m 0.378(7) amplimodes-cell
SrPrFeRuO6 Pbnm 300 K Pm3m 0.294(6) amplimodes-cell
SrPrMgRuO6 P21/n 300 K Fm3m 0.285(6) amplimodes-cell
SrPrNiRuO6 P21/n 300 K Fm3m 0.338(6) amplimodes-cell
SrPrZnRuO6 P21/n 300 K Fm3m 0.404(4) amplimodes-cell