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Mn2FeGe (Pmm2) - relaxed

Name: Mn2FeGe (Pmm2) - relaxed
Creator: hermes
Published: 2026-04-04T17:10:04.889+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Mn2FeGe (Pmm2) - geometry optimization report

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Structure

Formula: Mn₂FeGe
Space group: Pmm2 (25)
Crystal system: Orthorhombic
Atoms per cell: 4
Lattice a, b, c: 2.623 Å3.695 Å5.032 Å
Angles α, β, γ: 90.00°90.01°90.01°
Volume: 48.76 Å³
Density: 8.12 g/cm³

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Mn2FeGe (Pmm2) - geometry optimization report

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Structure

Formula: Mn₂FeGe
Space group: Pmm2 (25)
Crystal system: Orthorhombic
Atoms per cell: 4
Lattice a, b, c: 2.623 Å3.695 Å5.032 Å
Angles α, β, γ: 90.00°90.01°90.01°
Volume: 48.76 Å³
Density: 8.12 g/cm³

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Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -31.4592 eV; ΔE = -0.0116 eV; symmetry: Pmm2 → Pmm2

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Size: 797 B
Type: .cif file
Downloads: 0

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Mn2FeGe (Pmm2) - geometry optimization report

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Mn2FeGe (Pmm2) - relaxed

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