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template-Sr2CrSbO6 - relaxed

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Version of · via Relax a crystal structure

template-Sr2CrSbO6

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Structure

Formula: Sr₂CrSbO₆
Space group: I4/m (87)
Crystal system: Tetragonal
Atoms per cell: 10
Lattice a, b, c: 5.666 Å5.667 Å5.667 Å
Angles α, β, γ: 120.64°120.64°88.90°
Volume: 127.40 Å³
Density: 5.80 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: Sr₂CrSbO₆
Space group: I4/m (87)
Crystal system: Tetragonal
Atoms per cell: 10
Lattice a, b, c: 5.666 Å5.667 Å5.667 Å
Angles α, β, γ: 120.64°120.64°88.90°
Volume: 127.40 Å³
Density: 5.80 g/cm³

Properties

Curie temperature

146 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.28 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 = -67.3701 eV; energy change = -0.3701 eV; symmetry: I4/m → I4/m

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Size: 1.01 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

146 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.28 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-Sr2CrSbO6 - 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