inAug 13

TCTP-TCSP p1/4 k2 distinct topology 59cae21efd6d Mo-B-Fe Orb survivor 2d9f0941ae - relaxed

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Version of · via Relax a crystal structure

TCTP-TCSP p1/4 k2 distinct topology 59cae21efd6d Mo-B-Fe Orb survivor 2d9f0941ae

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Structure

Formula: Fe₃B₂Mo₄
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 9
Lattice a, b, c: 6.254 Å5.972 Å3.081 Å
Angles α, β, γ: 90.00°90.00°70.20°
Volume: 108.26 Å³
Density: 8.79 g/cm³

Attribution

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Estimate magnetic moments and Ms from a CIF, Success

Structure

Formula: Fe₃B₂Mo₄
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 9
Lattice a, b, c: 6.254 Å5.972 Å3.081 Å
Angles α, β, γ: 90.00°90.00°70.20°
Volume: 108.26 Å³
Density: 8.79 g/cm³

Properties

Saturation magnetization

0.19 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 = -82.9671 eV; energy change = -0.0093 eV; symmetry: P2/m → P2/m

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Stats

Size: 998 B
Type: .cif file
Downloads: 0

Properties

Saturation magnetization

0.19 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Actions

Estimate magnetic moments and Ms from a CIF, Success

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Overview

TCTP-TCSP p1/4 k2 distinct topology 59cae21efd6d Mo-B-Fe Orb survivor 2d9f0941ae - relaxed

Overview

Structure

Attribution

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

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Data

Data