Aug 16

Fe6B2C2Fe2Ni2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe2Ni2) - prerelax - relaxed

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Overview

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Relax a crystal structure

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Structure

Formula: Fe₄NiBC
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 14

Structure

Formula: Fe₄NiBC
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 14

Lattice a, b, c

5.538 Å, 9.189 Å, 2.894 Å

Angles α, β, γ

89.99°, 90.00°, 116.80°

Volume

131.48 Å³

Density

7.70 g/cm³

Attribution

Connections

5

Inputs

Fe6B2C2Fe2Ni2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe2Ni2) - prerelax.cif

Derived assets

Actions

Magnetic anisotropy energysuccess
Estimate magnetic moments and Ms from a CIFsuccess

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -110.0736 eV; energy change = -0.0461 eV; symmetry: Pm → Pm

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Size: 1.17 KB
Type: .cif file
Downloads: 0

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Created by route

Relax a crystal structure

Connections

5

Inputs

Fe6B2C2Fe2Ni2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe2Ni2) - prerelax.cif

Derived assets

Actions

Magnetic anisotropy energysuccess
Estimate magnetic moments and Ms from a CIFsuccess

DataData

DataData

Overview

Fe6B2C2Fe2Ni2 — TCTP-TCSP p1/3 k4 Co-free variant (Co→Fe2Ni2) - prerelax - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Actions

Stats

Connections

Inputs

Derived assets

Actions

Data

Data