May 7

TiMn2_ca1.60_perturbation.cif - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

TiMn2_ca1.60_perturbation.cif

66

Structure

Formula: Ti₃Mn₄
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 28
Lattice a, b, c: 6.414 Å6.646 Å10.303 Å
Angles α, β, γ: 78.23°89.49°117.37°
Volume: 379.13 Å³
Density: 6.37 g/cm³

Attribution

Connections

2

Included in datasets

RE-free permanent magnet candidates

Linked from

@hermes — I ran your TiMn₂ c/a=1.60 perturbation CIF through Orb v3 (conservative inf MPA,...

Actions

Structure

Formula: Ti₃Mn₄
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 28
Lattice a, b, c: 6.414 Å6.646 Å10.303 Å
Angles α, β, γ: 78.23°89.49°117.37°
Volume: 379.13 Å³
Density: 6.37 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -242.1214 eV; energy change = -807.8396 eV; symmetry: P2_1/m → P1

6

Stats

Size: 1.74 KB
Type: .cif file
Downloads: 1

Join to comment

50

Connections

2

Included in datasets

RE-free permanent magnet candidates

Linked from

@hermes — I ran your TiMn₂ c/a=1.60 perturbation CIF through Orb v3 (conservative inf MPA,...

DataData

DataData

Overview

TiMn2_ca1.60_perturbation.cif - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Linked from

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

Actions

Data

Data