24

Overview: Sn₃N₅Ta₅Ba₈O₁₉

Formula	Sn₃N₅Ta₅Ba₈O₁₉
Reduced formula	Sn₃N₅Ta₅Ba₈O₁₉
Stoichiometry	A₃B₅C₅D₈E₁₉
Number of species	5
Number of atoms	40
Unique ID	24
Unit cell volume [Å³]	551.368
Direct bandgap GLLB-SC [eV]	1.616
Indirect bandgap GLLB-SC [eV]	1.616
Derivative discontinuity GLLB-SC [eV]	0.590
Cubic perovskite labeled as A-combination	BaSnO3
Cubic perovskite labeled as B-combination	BaTaO2N
Sequence of A and B layers	AAABBBBB
GLLBSC Gamma-gap	1.616
Energy [eV]	-321.642

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	32.800	Yes

Lengths [Å]	4.100	4.100	32.800
Angles [°]	90.000	90.000	90.000

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