inJun 28

template-FeAgS2 - relaxed

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Overview

Version of · via Relax a crystal structure

template-FeAgS2

88

Structure

Formula: FeAgS₂
Space group: I-42d (122)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 6.421 Å6.420 Å6.420 Å
Angles α, β, γ: 128.86°128.86°75.24°
Volume: 156.20 Å³
Density: 4.84 g/cm³

Attribution

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Included in datasets

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Structure

Formula: FeAgS₂
Space group: I-42d (122)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 6.421 Å6.420 Å6.420 Å
Angles α, β, γ: 128.86°128.86°75.24°
Volume: 156.20 Å³
Density: 4.84 g/cm³

Properties

Curie temperature

283 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.19 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 = -40.4129 eV; energy change = -0.0216 eV; symmetry: I-42d → I-42d

ARR license

8

Stats

Size: 948 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

283 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.19 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

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DataData

DataData

Overview

template-FeAgS2 - 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