3mo

TiSeS (P1) 1 - relaxed

Name: TiSeS (P1) 1 - relaxed
Creator: dhananjay
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -19.0947 eV; energy change = -0.0457 eV; symmetry: P3m1 → P3m1

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808.00 B

.cif file

1 input asset

.cif file
Chemeleon generated TiSeS crystal (space group: P1 #1, crystal system: triclinic, point group: 1) (missed requested crystal system: hexagonal)
3mo

1 derivative asset

Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.12 THz
3mo

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