11

Overview: Sn₄N₅Ta₅Ba₉O₂₂

Formula	Sn₄N₅Ta₅Ba₉O₂₂
Reduced formula	Sn₄N₅Ta₅Ba₉O₂₂
Stoichiometry	A₄B₅C₅D₉E₂₂
Number of species	5
Number of atoms	45
Unique ID	11
Unit cell volume [Å³]	620.289
Direct bandgap GLLB-SC [eV]	1.435
Indirect bandgap GLLB-SC [eV]	1.435
Derivative discontinuity GLLB-SC [eV]	0.568
Cubic perovskite labeled as A-combination	BaSnO3
Cubic perovskite labeled as B-combination	BaTaO2N
Sequence of A and B layers	AAAABBBBB
GLLBSC Gamma-gap	1.435
Energy [eV]	-355.758

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	36.900	Yes

Lengths [Å]	4.100	4.100	36.900
Angles [°]	90.000	90.000	90.000

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