CuTlSe

Type: Volume Composition

ObjectId: 3891 ExternalId: 2737

Created: 2/1/2023 3:33:13 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]

Access: Public Sort Code (asc): 0

Description: CuTlSe

[no file attached]

: Cu-Se-Tl

Composition

ElementAbsolutePercentage
Cu 1 33.333 %
Tl 1 33.333 %
Se 1 33.333 %

Associated Objects

All properties (except table)

Include all template properties

No properties found

The table

CrystalSystem StructureType SpaceGroup Eg IsCalculated ReferenceId Comment
Tetragonal PbFCl P4/nmm 0.083 1 717 Indirect; DFT calculations, FLEUR code; with spin-orbit interaction
Tetragonal PbFCl P4/nmm 0.166 1 717 Indirect; DFT calculations, FLEUR code; without spin-orbit interaction
Tetragonal PbFCl P4/nmm 0.5 1 717 Direct; DFT calculations, FLEUR code; with spin-orbit interaction
Tetragonal PbFCl P4/nmm 0.6 1 717 Direct; DFT calculations, FLEUR code; without spin-orbit interaction