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template-Fe3SnAs - relaxed

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Overview

Version of · via Relax a crystal structure

template-Fe3SnAs

66

Structure

Formula: Fe₃SnAs
Space group: P3m1 (156)
Crystal system: Trigonal
Atoms per cell: 5
Lattice a, b, c: 4.052 Å4.053 Å5.442 Å
Angles α, β, γ: 90.02°90.02°59.98°
Volume: 77.39 Å³
Density: 7.75 g/cm³

Attribution

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Structure

Formula: Fe₃SnAs
Space group: P3m1 (156)
Crystal system: Trigonal
Atoms per cell: 5
Lattice a, b, c: 4.052 Å4.053 Å5.442 Å
Angles α, β, γ: 90.02°90.02°59.98°
Volume: 77.39 Å³
Density: 7.75 g/cm³

Properties

Curie temperature

496 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.88 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 = -33.5361 eV; energy change = -0.2429 eV; symmetry: P3m1 → P3m1

ARR license

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Stats

Size: 834 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

496 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.88 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

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Connections

2

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DataData

Overview

template-Fe3SnAs - 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