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template-VCrSe2 - relaxed

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Overview

Version of · via Relax a crystal structure

template-VCrSe2

66

Structure

Formula: VCrSe₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 4
Lattice a, b, c: 3.735 Å3.736 Å5.878 Å
Angles α, β, γ: 90.04°89.97°119.95°
Volume: 71.06 Å³
Density: 6.10 g/cm³

Attribution

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Structure

Formula: VCrSe₂
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 4
Lattice a, b, c: 3.735 Å3.736 Å5.878 Å
Angles α, β, γ: 90.04°89.97°119.95°
Volume: 71.06 Å³
Density: 6.10 g/cm³

Properties

Curie temperature

115 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.78 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 = -27.2727 eV; energy change = -0.0571 eV; symmetry: P-3m1 → P-3m1

ARR license

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Stats

Size: 793 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

115 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.78 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

DataData

Overview

template-VCrSe2 - 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