Compound

Space group

Lattice Parameters (Å)

(Optimization)

Lattice Parameters (Å)

(Experiment)

TaCu₃S₄

$\text{P}\overline{4}3\text{m}$

5.573

5.52 [24]

TaCu₃Se₄

$\text{P}\overline{4}3\text{m}$

5.722

5.67 [24]

TaCu₃Te₄

$\text{P}\overline{4}3\text{m}$

6.001

5.928 [25]

TaTl₃S₄

$\text{I}\overline{4}3\text{m}$

7.854

7.671 [26]

TaTl₃Se₄

$\text{I}\overline{4}3\text{m}$

8.076

7.876 [26]

KTaO₃

$\text{P}\overline{4}3\text{m}$

4.037

3.989 [27]