Sep 9

FeMo (P4/mmm) - DFT relaxed

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Overview

Version of · via DFT structure relaxation

FeMo (P4/mmm)

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FeMo (Pm-3m) - DFT relaxed

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Structure

Formula: FeMo
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2
Lattice a, b, c: 2.812 Å2.812 Å3.632 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 28.72 Å³
Density: 8.78 g/cm³

Attribution

Connections

1

Included in datasets

Rare-earth-free magnet candidates

Actions

Magnetic anisotropy energy, Error
Magnetic moments, Success

Structure

Formula: FeMo
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2
Lattice a, b, c: 2.812 Å2.812 Å3.632 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 28.72 Å³
Density: 8.78 g/cm³

Properties

Magnetic moment

0.98 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

0.80 TABACUS DFT
Magnetic moments

Attribution

ARR license

Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -5319.8388 eV; energy change = -0.0712 eV

11

Stats

Size: 770 B
Type: .cif file
Downloads: 0

Properties

Magnetic moment

0.98 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

0.80 TABACUS DFT
Magnetic moments

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Connections

1

Included in datasets

Rare-earth-free magnet candidates

Actions

Magnetic anisotropy energy, Error
Magnetic moments, Success

DataData

DataData

Overview

FeMo (P4/mmm) - DFT relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Magnetic moment

Saturation magnetization

Attribution

Stats

Properties

Magnetic moment

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data