Aug 16

Fe10B4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe) - prerelax - relaxed

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Overview

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Relax a crystal structure

1919

Structure

Formula: Fe₅B₂
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 14

Structure

Formula: Fe₅B₂
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 14

Lattice a, b, c

5.592 Å, 9.515 Å, 2.851 Å

Angles α, β, γ

90.00°, 90.00°, 117.31°

Volume

134.82 Å³

Density

7.41 g/cm³

Attribution

Connections

5

Inputs

Fe10B4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe) - prerelax.cif

Derived assets

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Magnetic anisotropy energyerror
Magnetic anisotropy energyerror
Magnetic anisotropy energysuccess

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -114.1315 eV; energy change = -0.0946 eV; symmetry: P2/m → P2/m

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Size: 1.16 KB
Type: .cif file
Downloads: 0

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Created by route

Relax a crystal structure

Connections

5

Inputs

Fe10B4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe) - prerelax.cif

Derived assets

Actions

Magnetic anisotropy energyerror
Magnetic anisotropy energyerror
Magnetic anisotropy energysuccess

DataData

DataData

Overview

Fe10B4 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe) - prerelax - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Actions

Stats

Connections

Inputs

Derived assets

Actions

Data

Data