Sep 29

SmCo5 FM magnetic moments

Data Docs Logs

Overview

Version of · via Magnetic moments

SmCo5 (mp-1429, P6/mmm)

Newer version

SmCo5 FiM magnetic moments

1111

Structure

Formula: SmCo₅
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 3.963 Å4.968 Å4.968 Å
Angles α, β, γ: 60.00°90.00°90.00°
Volume: 84.70 Å³
Density: 8.72 g/cm³

Attribution

Connections

1

Linked from

Nd and Sm on Ouro DFT: matched 4f bases, SmCo₅ gets the right spin order, and why +U isn't ready yet

Actions

Curie temperature (Tc), Success

Structure

Formula: SmCo₅
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 3.963 Å4.968 Å4.968 Å
Angles α, β, γ: 60.00°90.00°90.00°
Volume: 84.70 Å³
Density: 8.72 g/cm³

Properties

Curie temperature

Attribution

ARR license

Converged Mulliken magnetic moments (FM: Sm spin +4.84 μB parallel to Co; net 13.06 μB/cell). PBE, 150 Ry, mixing 0.1, smearing 0.1 eV. Metastable: 0.71 eV/f.u. above the FiM ground state.

11

Stats

Size: 1.4 KB
Type: .cif file
Downloads: 0

Join to comment

Properties

Curie temperature

50

Connections

1

Linked from

Nd and Sm on Ouro DFT: matched 4f bases, SmCo₅ gets the right spin order, and why +U isn't ready yet

Actions

Curie temperature (Tc), Success

DataData

DataData

Overview

SmCo5 FM magnetic moments

Overview

Structure

Attribution

Connections

Linked from

Actions

Structure

Properties

Curie temperature

Attribution

Stats

Properties

Curie temperature

Connections

Linked from

Actions

Data

Data