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Version of · via Relax a crystal structure

Mn3(BMo2)2 distorted v4 b_bond

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Mn3(BMo2)2 distorted v4 b_bond - relaxed · Mn3B2Mo4 Cmmm crystal structure · Files on Ouro

inAug 13

Mn3(BMo2)2 distorted v4 b_bond - relaxed

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Version of · via Relax a crystal structure

Mn3(BMo2)2 distorted v4 b_bond

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Structure

Formula: Mn₃B₂Mo₄
Space group: Cmmm (65)
Crystal system: Orthorhombic
Atoms per cell: 9
Lattice a, b, c: 5.856 Å5.855 Å3.196 Å
Angles α, β, γ: 90.00°90.00°99.85°
Volume: 107.97 Å³
Density: 8.77 g/cm³

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Structure

Formula: Mn₃B₂Mo₄
Space group: Cmmm (65)
Crystal system: Orthorhombic
Atoms per cell: 9
Lattice a, b, c: 5.856 Å5.855 Å3.196 Å
Angles α, β, γ: 90.00°90.00°99.85°
Volume: 107.97 Å³
Density: 8.77 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -85.3814 eV; energy change = -0.3291 eV; symmetry: Amm2 → Cmmm

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Size: 997 B
Type: .cif file
Downloads: 0

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Mn3(BMo2)2 distorted v4 b_bond - relaxed

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