16

Overview: N₅Ta₅Sn₆Ba₁₁O₂₈

Formula	N₅Ta₅Sn₆Ba₁₁O₂₈
Reduced formula	N₅Ta₅Sn₆Ba₁₁O₂₈
Stoichiometry	A₅B₅C₆D₁₁E₂₈
Number of species	5
Number of atoms	55
Unique ID	16
Unit cell volume [Å³]	758.131
Direct bandgap GLLB-SC [eV]	1.279
Indirect bandgap GLLB-SC [eV]	1.279
Derivative discontinuity GLLB-SC [eV]	0.552
Cubic perovskite labeled as A-combination	BaSnO3
Cubic perovskite labeled as B-combination	BaTaO2N
Sequence of A and B layers	AAAAAABBBBB
GLLBSC Gamma-gap	1.279
Energy [eV]	-423.989

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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