inJun 29

template-Li5Fe4As4O16F - relaxed

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Overview

Version of · via Relax a crystal structure

template-Li5Fe4As4O16F

88

Structure

Formula: Li₅Fe₄As₄O₁₆F
Space group: I-4 (82)
Crystal system: Tetragonal
Atoms per cell: 30
Lattice a, b, c: 8.590 Å8.589 Å8.591 Å
Angles α, β, γ: 96.15°96.15°141.79°
Volume: 370.39 Å³
Density: 3.73 g/cm³

Attribution

Connections

2

Included in datasets

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Structure

Formula: Li₅Fe₄As₄O₁₆F
Space group: I-4 (82)
Crystal system: Tetragonal
Atoms per cell: 30
Lattice a, b, c: 8.590 Å8.589 Å8.591 Å
Angles α, β, γ: 96.15°96.15°141.79°
Volume: 370.39 Å³
Density: 3.73 g/cm³

Properties

Curie temperature

102 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.48 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 = -180.6889 eV; energy change = -10.7295 eV; symmetry: I-4 → I-4

ARR license

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Size: 1.8 KB
Type: .cif file
Downloads: 0

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Properties

Curie temperature

102 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.48 TCHGNet
Estimate magnetic moments and Ms from a CIF

Connections

2

DataData

DataData

Overview

template-Li5Fe4As4O16F - 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