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MnFeSi C14 MgZn₂-type CIF (ICSD rebuild) - relaxed

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Version of · via Relax a crystal structure

MnFeSi C14 MgZn₂-type CIF (ICSD rebuild)

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MnFeSi C14 MgZn₂-type CIF (ICSD rebuild) - relaxed 1

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Structure

Formula: MnFe₆Si₁₀
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 34
Lattice a, b, c: 6.621 Å6.439 Å12.040 Å
Angles α, β, γ: 85.06°96.24°123.65°
Volume: 424.61 Å³
Density: 5.25 g/cm³

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2

Referenced by

Cross-MLIP C14 Laves Phase Calibration: TiMn₂ vs MnFeSi

Included in datasets

RE-free permanent magnet candidates

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Structure

Formula: MnFe₆Si₁₀
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 34
Lattice a, b, c: 6.621 Å6.439 Å12.040 Å
Angles α, β, γ: 85.06°96.24°123.65°
Volume: 424.61 Å³
Density: 5.25 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -238.7538 eV; energy change = -397.8301 eV; symmetry: P-1 → P1

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Size: 1.99 KB
Type: .cif file
Downloads: 0

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Connections

2

Referenced by

Cross-MLIP C14 Laves Phase Calibration: TiMn₂ vs MnFeSi

Included in datasets

RE-free permanent magnet candidates

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Overview

MnFeSi C14 MgZn₂-type CIF (ICSD rebuild) - relaxed

Overview

Structure

Attribution

Connections

Referenced by

Included in datasets

Actions

Structure

Attribution

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Connections

Referenced by

Included in datasets

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Data

Data