ZnO

Type: Volume Composition

ObjectId: 4415 ExternalId: 3324

Created: 2/1/2023 3:33:15 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]

Access: Public Sort Code (asc): 0

Description: ZnO

[no file attached]

: O-Zn

Composition

ElementAbsolutePercentage
Zn 1 50 %
O 1 50 %

Associated Objects

All properties (except table)

Include all template properties

No properties found

The table

CrystalSystem StructureType SpaceGroup Eg IsCalculated ReferenceId Comment Temperature
Hexagonal wurtzite P63mc 0.73 1 1049 Calculation. VASP. PBE
Hexagonal wurtzite P63mc 2.48 1 1049 Calculation. VASP. HSE06
Hexagonal wurtzite P63mc 3.25 0 27 Optical
Hexagonal wurtzite P63mc 3.35 0 27 Optical
Hexagonal wurtzite P63mc 3.436 0 32
Hexagonal wurtzite P63mc 3.442 0 32
Hexagonal wurtzite P63mc 3.4425 0 32
Hexagonal wurtzite P63mc 3.4813 0 32
Hexagonal wurtzite P63mc 3.4874 0 32
Hexagonal wurtzite P63mc 3.46 0 27 0
Hexagonal wurtzite P63mc 3.3475 0 32 1.2
Hexagonal wurtzite P63mc 3.435 0 32 1.2
Hexagonal wurtzite P63mc 3.435 0 581 Diffuse reflectance spectroscopy. Direct transition. Single crystal 1.2
Hexagonal wurtzite P63mc 3.512 0 32 1.2
Hexagonal wurtzite P63mc 3.4376 0 32 1.6
Hexagonal wurtzite P63mc 3.4405 0 32 1.6
Hexagonal wurtzite P63mc 3.479 0 32 1.6
Hexagonal wurtzite P63mc 3.4449 0 32 4.2
Hexagonal wurtzite P63mc 3.4481 0 32 4.2
Hexagonal wurtzite P63mc 3.48 0 32 4.2
Hexagonal wurtzite P63mc 3.26 0 581 Excitonic transition. Single crystal 77
Hexagonal wurtzite P63mc 3.418 0 581 Diffuse reflectance spectroscopy. Excitonic transition. Single crystal 77
Hexagonal wurtzite P63mc 3.3 0 183 Direct 298
Hexagonal wurtzite P63mc 2.6 0 37 300
Hexagonal wurtzite P63mc 3.2 0 27 300
Hexagonal wurtzite P63mc 3.2 0 37 300
Hexagonal wurtzite P63mc 3.3 0 27 Film 300
Hexagonal wurtzite P63mc 3.3 0 37 300
Hexagonal wurtzite P63mc 3.31 0 581 Electroreflection. Single crystal 300
Hexagonal wurtzite P63mc 3.35 0 581 Diffuse reflectance spectroscopy. Single crystal 300