BaAg2GeS4

Type: Volume Composition

ObjectId: 4161 ExternalId: 3047

Created: 2/1/2023 3:33:14 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]

Access: Public Sort Code (asc): 0

Description: BaAg2GeS4

[no file attached]

: Ag-Ba-Ge-S

Composition

ElementAbsolutePercentage
Ba 1 12.5 %
Ag 2 25 %
Ge 1 12.5 %
S 4 50 %

Associated Objects

All properties (except table)

Include all template properties

No properties found

The table

CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment Temperature
Tetragonal I4(-)2m 0.414 1 1331 Direct. Calculation. WIEN2k package (GGA-WC)
Tetragonal I4(-)2m 0.62 1 918 Indirect. Calculation. VASP
Tetragonal I4(-)2m 0.912 1 1331 Direct. Calculation. WIEN2k package (BJ)
Tetragonal I4(-)2m 1.38 0 852 Indirect
Tetragonal I4(-)2m 1.691 1 1331 Direct. Calculation. WIEN2k package (mBJ)
Tetragonal I4(-)2m 2.02 0 918 UV-vis-NIR diffuse reflectance spectroscopy 298
Tetragonal I4(-)2m 2.12 0 1286 UV-vis diffuse reflectance spectroscopy 298