12

Overview: Sn₅N₆Ta₆Ba₁₁O₂₇

Formula	Sn₅N₆Ta₆Ba₁₁O₂₇
Reduced formula	Sn₅N₆Ta₆Ba₁₁O₂₇
Stoichiometry	A₅B₆C₆D₁₁E₂₇
Number of species	5
Number of atoms	55
Unique ID	12
Unit cell volume [Å³]	758.131
Direct bandgap GLLB-SC [eV]	1.332
Indirect bandgap GLLB-SC [eV]	1.332
Derivative discontinuity GLLB-SC [eV]	0.556
Cubic perovskite labeled as A-combination	BaSnO3
Cubic perovskite labeled as B-combination	BaTaO2N
Sequence of A and B layers	AAAAABBBBBB
GLLBSC Gamma-gap	1.332
Energy [eV]	-433.723

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	45.100	Yes

Lengths [Å]	4.100	4.100	45.100
Angles [°]	90.000	90.000	90.000

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