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FeNbSe2 CIF (P21c distorted Pmna, cycle 23) - relaxed

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Version of · via Relax a crystal structure

FeNbSe2 CIF (P21c distorted Pmna, cycle 23)

77

Structure

Formula: NbFeSe₂
Space group: P2_1/c (14)
Crystal system: Monoclinic
Atoms per cell: 16
Lattice a, b, c: 6.174 Å7.182 Å7.872 Å
Angles α, β, γ: 92.10°89.95°90.02°
Volume: 348.84 Å³
Density: 5.84 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: NbFeSe₂
Space group: P2_1/c (14)
Crystal system: Monoclinic
Atoms per cell: 16
Lattice a, b, c: 6.174 Å7.182 Å7.872 Å
Angles α, β, γ: 92.10°89.95°90.02°
Volume: 348.84 Å³
Density: 5.84 g/cm³

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ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -111.1596 eV; energy change = -1.5495 eV; symmetry: Pmna → P2_1/c

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Size: 1.25 KB
Type: .cif file
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RE-free permanent magnet candidates

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FeNbSe2 CIF (P21c distorted Pmna, cycle 23) - relaxed

Overview

Structure

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Structure

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