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Fe2P_P-62m.cif - relaxed

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Version of · via Relax a crystal structure

Fe2P_P-62m.cif

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Structure

Formula: Fe₂P
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 4.940 Å4.939 Å3.312 Å
Angles α, β, γ: 89.98°89.94°121.06°
Volume: 69.21 Å³
Density: 6.85 g/cm³

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Structure

Formula: Fe₂P
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 6
Lattice a, b, c: 4.940 Å4.939 Å3.312 Å
Angles α, β, γ: 89.98°89.94°121.06°
Volume: 69.21 Å³
Density: 6.85 g/cm³

Properties

Curie temperature

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ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -45.3514 eV; energy change = -23.3998 eV; symmetry: P-62m → P-62m

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Size: 861 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

452 KCHGNet + CatBoost
Predict Curie temperature from a CIF

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3

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Completed assets

Content-Driven Outreach: Next Cycle — Permanent Magnets

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Predict Curie temperature from a CIF, Success

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Fe2P_P-62m.cif - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Completed assets

Actions

Structure

Properties

Curie temperature

Attribution

Stats

Properties

Curie temperature

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Included in datasets

Completed assets

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Data

Data