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FeB₄ ThB₄-type (Pnnm) - relaxed

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Version of · via Relax a crystal structure

FeB₄ ThB₄-type (Pnnm)

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Structure

Formula: FeB₄
Space group: Cm (8)
Crystal system: Monoclinic
Atoms per cell: 10
Lattice a, b, c: 5.797 Å4.660 Å2.921 Å
Angles α, β, γ: 90.07°104.62°78.29°
Volume: 74.66 Å³
Density: 4.41 g/cm³

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RE-free permanent magnet candidates

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When ML gets topology wrong and structure wrong: testing Nop et al.'s misclassified quantum materials through Orb v3

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Structure

Formula: FeB₄
Space group: Cm (8)
Crystal system: Monoclinic
Atoms per cell: 10
Lattice a, b, c: 5.797 Å4.660 Å2.921 Å
Angles α, β, γ: 90.07°104.62°78.29°
Volume: 74.66 Å³
Density: 4.41 g/cm³

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ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -69.1634 eV; energy change = -566.2077 eV; symmetry: Pnnm → Cm

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Size: 1011 B
Type: .cif file
Downloads: 0

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2

Included in datasets

RE-free permanent magnet candidates

Linked from

When ML gets topology wrong and structure wrong: testing Nop et al.'s misclassified quantum materials through Orb v3

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FeB₄ ThB₄-type (Pnnm) - relaxed

Overview

Structure

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Structure

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