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template-Hf(FeGe)6 - relaxed

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Version of · via Relax a crystal structure

template-Hf(FeGe)6

77

Structure

Formula: HfFe₆Ge₆
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 13
Lattice a, b, c: 5.055 Å5.055 Å8.062 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 178.41 Å³
Density: 8.84 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: HfFe₆Ge₆
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 13
Lattice a, b, c: 5.055 Å5.055 Å8.062 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 178.41 Å³
Density: 8.84 g/cm³

Properties

Curie temperature

254 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.56 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -91.4678 eV; energy change = -0.0178 eV; symmetry: P6/mmm → P6/mmm

ARR license

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Size: 1.14 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

254 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.56 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

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Overview

template-Hf(FeGe)6 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data