BaB2O4

Type: Volume Composition

ObjectId: 2557 ExternalId: 1141

Created: 2/1/2023 3:33:09 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]

Access: Public Sort Code (asc): 0

Description: BaB2O4

[no file attached]

: B-Ba-O

Composition

ElementAbsolutePercentage
Ba 1 14.286 %
B 2 28.571 %
O 4 57.143 %

Associated Objects

All properties (except table)

Include all template properties

No properties found

The table

Modification CrystalSystem SpaceGroup Eg IsCalculated ReferenceId Comment Temperature
α Monoclinic C2/c 4.831 1 1705 Indirect. Calculation. VASP (PBE)
α Monoclinic C2/c 6.468 1 1705 Indirect. Calculation. VASP (HSE06)
β Hexagonal 6.43 0 98
β Hexagonal 6.2 0 72 298
γ Monoclinic P21/c 5.345 1 1705 Indirect. Calculation. VASP (PBE). h.p.-modification
γ Monoclinic P21/c 7.045 1 1705 Indirect. Calculation. VASP (HSE06). h.p.-modification