inNov 12

Fe10GeB4P: Orb-relaxed cell (I422)

Data Docs Logs

Overview

00

Structure

Formula: Fe₁₀GeB₄P
Space group: I422 (97)
Crystal system: Tetragonal
Atoms per cell: 32
Lattice a, b, c: 5.512 Å5.512 Å10.371 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 315.08 Å³
Density: 7.43 g/cm³

Attribution

Connections

1

Linked from

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

Actions

Structure

Formula: Fe₁₀GeB₄P
Space group: I422 (97)
Crystal system: Tetragonal
Atoms per cell: 32
Lattice a, b, c: 5.512 Å5.512 Å10.371 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 315.08 Å³
Density: 7.43 g/cm³

Attribution

Fe10GeB4P, I422, Fe5PB2 type with P and Ge ordered on the 4a site. Built by substitution into a Materials Project prototype and relaxed with Orb v3 on Ouro. Energy above hull 7.8 meV/atom on the Orb v3 surface; no imaginary phonon modes; absent from MP, Alexandria, GNoME and COD. ML-only: not checked with DFT.

ARR license

0

Stats

Size: 2.09 KB
Type: .cif file
Downloads: 0

Join to comment

50

Connections

1

Linked from

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

DataData

DataData

Overview

Fe10GeB4P: Orb-relaxed cell (I422)

Overview

Structure

Attribution

Connections

Linked from

Actions

Structure

Attribution

Stats

Connections

Linked from

Actions

Data

Data