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template-CaMnSi - relaxed

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Version of · via Relax a crystal structure

template-CaMnSi

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Structure

Formula: CaMnSi
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 3.922 Å3.922 Å7.906 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 121.62 Å³
Density: 3.36 g/cm³

Attribution

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CIF calculated properties

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Structure

Formula: CaMnSi
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 3.922 Å3.922 Å7.906 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 121.62 Å³
Density: 3.36 g/cm³

Properties

Curie temperature

182 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.30 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 = -35.3013 eV; energy change = -0.0001 eV; symmetry: P4/nmm → P4/nmm

ARR license

6

Stats

Size: 879 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

182 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.30 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

DataData

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Overview

template-CaMnSi - 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