inAug 16

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

Data Docs Logs

Overview

Version of · via Relax a crystal structure

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

99

Structure

Formula: Fe₄NiBC
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 14
Lattice a, b, c: 5.538 Å9.189 Å2.894 Å
Angles α, β, γ: 89.99°90.00°116.80°
Volume: 131.48 Å³
Density: 7.70 g/cm³

Attribution

Derived

4

Results

4

Actions

Structure

Formula: Fe₄NiBC
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 14
Lattice a, b, c: 5.538 Å9.189 Å2.894 Å
Angles α, β, γ: 89.99°90.00°116.80°
Volume: 131.48 Å³
Density: 7.70 g/cm³

Properties

Saturation magnetization

1.44 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

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

9

Stats

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

Properties

Saturation magnetization

1.44 TCHGNet
Estimate magnetic moments and Ms from a CIF

Join to comment

50

DataData

DataData

Overview

Derived

Results

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

Overview

Structure

Attribution

Derived

Results

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Actions

Data

Data