22

Overview: Sn₃N₄Ta₄Ba₇O₁₇

Formula	Sn₃N₄Ta₄Ba₇O₁₇
Reduced formula	Sn₃N₄Ta₄Ba₇O₁₇
Stoichiometry	A₃B₄C₄D₇E₁₇
Number of species	5
Number of atoms	35
Unique ID	22
Unit cell volume [Å³]	482.447
Direct bandgap GLLB-SC [eV]	1.625
Indirect bandgap GLLB-SC [eV]	1.625
Derivative discontinuity GLLB-SC [eV]	0.593
Cubic perovskite labeled as A-combination	BaSnO3
Cubic perovskite labeled as B-combination	BaTaO2N
Sequence of A and B layers	AAABBBB
GLLBSC Gamma-gap	1.625
Energy [eV]	-277.793

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	28.700	Yes

Lengths [Å]	4.100	4.100	28.700
Angles [°]	90.000	90.000	90.000

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