Bi4O4SeCl2

Type: Volume Composition

ObjectId: 5689 ExternalId: 4683

Created: 2/1/2023 3:33:22 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]

Access: Public Sort Code (asc): 0

Description: Bi4O4SeCl2

[no file attached]

: Bi-Cl-O-Se

Composition

ElementAbsolutePercentage
Bi 4 36.364 %
O 4 36.364 %
Se 1 9.091 %
Cl 2 18.182 %

Associated Objects

All properties (except table)

Include all template properties

No properties found

The table

CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment
Tetragonal I4/mmm 0.697 1 1821 Indirect. Calculation. VASP
Tetragonal I4/mmm 0.87 1 1301 Indirect. Calculation. VASP. SCAN+Spin-orbit coupling
Tetragonal I4/mmm 1.05 0 1821 Indirect. UV-vis diffuse reflectance spectroscopy
Tetragonal I4/mmm 1.15 0 1301 Indirect. UV-vis diffuse reflectance spectroscopy
Tetragonal I4/mmm 1.25 1 1301 Indirect. Calculation. VASP. HSE06
Tetragonal I4/mmm 1.35 0 1301 Direct. UV-vis diffuse reflectance spectroscopy
Tetragonal I4/mmm 1.51 1 1301 Direct. Calculation. VASP. SCAN+Spin-orbit coupling
Tetragonal I4/mmm 1.95 1 1301 Direct. Calculation. VASP. HSE06