15

Overview: N₄Ta₄Sn₅Ba₉O₂₃

Formula	N₄Ta₄Sn₅Ba₉O₂₃
Reduced formula	N₄Ta₄Sn₅Ba₉O₂₃
Stoichiometry	A₄B₄C₅D₉E₂₃
Number of species	5
Number of atoms	45
Unique ID	15
Unit cell volume [Å³]	620.289
Direct bandgap GLLB-SC [eV]	1.344
Indirect bandgap GLLB-SC [eV]	1.344
Derivative discontinuity GLLB-SC [eV]	0.559
Cubic perovskite labeled as A-combination	BaSnO3
Cubic perovskite labeled as B-combination	BaTaO2N
Sequence of A and B layers	AAAAABBBB
GLLBSC Gamma-gap	1.344
Energy [eV]	-346.024

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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