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Ti2MnFe5B2: Orb-relaxed cell (P4/mbm)

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Structure

Formula: Ti₂MnFe₅B₂
Space group: P4/mbm (127)
Crystal system: Tetragonal
Atoms per cell: 20
Lattice a, b, c: 8.548 Å8.547 Å2.859 Å
Angles α, β, γ: 89.99°90.00°90.00°
Volume: 208.84 Å³
Density: 7.18 g/cm³

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Referenced by

Stable, unique, novel Fe-rich compounds, loop 1: 874 tetragonal cells screened, Ti₂MnFe₅B₂ on the hull

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Structure

Formula: Ti₂MnFe₅B₂
Space group: P4/mbm (127)
Crystal system: Tetragonal
Atoms per cell: 20
Lattice a, b, c: 8.548 Å8.547 Å2.859 Å
Angles α, β, γ: 89.99°90.00°90.00°
Volume: 208.84 Å³
Density: 7.18 g/cm³

Attribution

Ti2MnFe5B2, P4/mbm, Ti3Co5B2 type with Mn on 2a. Built by substitution into a Materials Project prototype and relaxed with Orb v3 on Ouro. Energy above hull 0.0 meV/atom on the Orb v3 surface; no imaginary phonon modes; absent from MP, Alexandria, GNoME and COD. ML-only: not checked with DFT.

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Size: 1.55 KB
Type: .cif file
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Connections

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Referenced by

Stable, unique, novel Fe-rich compounds, loop 1: 874 tetragonal cells screened, Ti₂MnFe₅B₂ on the hull

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Overview

Ti2MnFe5B2: Orb-relaxed cell (P4/mbm)

Overview

Structure

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Structure

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