May 6

WSi2 I4/mmm primitive cell

Data Docs Logs

Overview

44

Structure

Formula: Si₂W
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 3

Structure

Formula: Si₂W
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 3

Lattice a, b, c

3.211 Å, 3.211 Å, 7.835 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

80.78 Å³

Density

4.93 g/cm³

Attribution

Connections

2

Derived assets

WSi2 I4/mmm primitive cell - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm

Referenced by

WSi2 I4/mmm primitive cell - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm

ActionsTools that work with this file

Available for this file

WSi₂ primitive cell (I4/mmm #139, 3 atoms in asymmetric unit). W at 2a, Si at 4e — same symmetry as conventional, smaller cell for primitive-vs-conventional discriminator.

ARR license

4

Stats

Size: 1.15 KB
Type: .cif file
Downloads: 0

Join to comment

46

Connections

2

Derived assets

WSi2 I4/mmm primitive cell - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm

Referenced by

WSi2 I4/mmm primitive cell - geometry optimization report
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -21.6352 eV; ΔE = -3.2957 eV; symmetry: P4/mmm → P4/mmm

ActionsTools that work with this file