Material

Reference

a (Å)

E_g (eV)

C₁₁

C₁₂

C₄₄

B

G

E

AgNbO₃

LDA^cal.

3.9468

1.63

513.3

107

49.1

242

90

241

LDA [18]

3.9584

1.53

LDA [19]

3.9530

1.34

GGA [20]

3.9790

1.51

GGA [21]

3.9929

1.40

190

GGA [22]

3.9510

1.60

210

Exp. [2]

3.9598

2.8

AgTaO₃

LDA^cal.

3.9537

2.22

530.8

105.2

53.5

247

97

257

LDA [18]

3.9545

1.54

LDA [23]

3.9490

1.53

GGA [21]

3.9929

2.08

190

GGA [22]

3.9588

1.64

219

Exp. [8]

3.9484

3,4