17

Overview: N₄Ta₄Sn₆Ba₁₀O₂₆

Formula	N₄Ta₄Sn₆Ba₁₀O₂₆
Reduced formula	N₂Ta₂Sn₃Ba₅O₁₃
Stoichiometry	A₂B₂C₃D₅E₁₃
Number of species	5
Number of atoms	50
Unique ID	17
Unit cell volume [Å³]	689.210
Direct bandgap GLLB-SC [eV]	1.285
Indirect bandgap GLLB-SC [eV]	1.285
Derivative discontinuity GLLB-SC [eV]	0.554
Cubic perovskite labeled as A-combination	BaSnO3
Cubic perovskite labeled as B-combination	BaTaO2N
Sequence of A and B layers	AAAAAABBBB
GLLBSC Gamma-gap	1.285
Energy [eV]	-380.139

Repeat: Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	4.100	0.000	0.000	Yes
2	0.000	4.100	0.000	Yes
3	0.000	0.000	41.000	Yes

Lengths [Å]	4.100	4.100	41.000
Angles [°]	90.000	90.000	90.000

This work is licensed under a Creative Commons Attribution-Noncomercial 4.0 International License.

Creative Commons License

Powered by Bottle and CAMD-Web