Aug 14

TCTP-TCSP p1/3 k4 abc1d5 scaffold — Cr6B4Co4 magnet-directed variant - relaxed

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Overview

Created by route

Relax a crystal structure

1515

Structure

Formula: Cr₃Co₂B₂
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 14

Structure

Formula: Cr₃Co₂B₂
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 14

Lattice a, b, c

5.623 Å, 9.312 Å, 2.902 Å

Angles α, β, γ

89.99°, 90.00°, 117.77°

Volume

134.44 Å³

Density

7.30 g/cm³

Attribution

Connections

5

Inputs

TCTP-TCSP p1/3 k4 abc1d5 scaffold — Cr6B4Co4 magnet-directed variantAtoms

Derived assets

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Magnetic anisotropy energysuccess

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -115.5244 eV; energy change = -0.0557 eV; symmetry: P2/m → P2/m

ARR license

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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

TCTP-TCSP p1/3 k4 abc1d5 scaffold — Cr6B4Co4 magnet-directed variantAtoms

Derived assets

Actions

Estimate magnetic moments and Ms from a CIFsuccess
Magnetic anisotropy energysuccess

DataData

DataData

Overview

TCTP-TCSP p1/3 k4 abc1d5 scaffold — Cr6B4Co4 magnet-directed variant - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

Derived assets

Actions

Stats

Connections

Inputs

Derived assets

Actions

Data

Data