inJun 29

template-ZnCoO3 - relaxed

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Version of · via Relax a crystal structure

template-ZnCoO3

77

Structure

Formula: ZnCoO₃
Space group: R-3 (148)
Crystal system: Trigonal
Atoms per cell: 10
Lattice a, b, c: 5.383 Å5.383 Å5.383 Å
Angles α, β, γ: 55.05°55.05°55.05°
Volume: 97.57 Å³
Density: 5.87 g/cm³

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Structure

Formula: ZnCoO₃
Space group: R-3 (148)
Crystal system: Trigonal
Atoms per cell: 10
Lattice a, b, c: 5.383 Å5.383 Å5.383 Å
Angles α, β, γ: 55.05°55.05°55.05°
Volume: 97.57 Å³
Density: 5.87 g/cm³

Properties

Curie temperature

258 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.16 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 = -51.9509 eV; energy change = -0.5404 eV; symmetry: R-3 → R-3

ARR license

7

Stats

Size: 1019 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

258 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.16 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-ZnCoO3 - 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