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template-Ca3CoRhO6 - relaxed

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Version of · via Relax a crystal structure

template-Ca3CoRhO6

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Structure

Formula: Ca₃CoRhO₆
Space group: R-3c (167)
Crystal system: Trigonal
Atoms per cell: 22
Lattice a, b, c: 6.465 Å6.465 Å6.465 Å
Angles α, β, γ: 91.11°91.11°91.11°
Volume: 270.05 Å³
Density: 4.65 g/cm³

Attribution

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Structure

Formula: Ca₃CoRhO₆
Space group: R-3c (167)
Crystal system: Trigonal
Atoms per cell: 22
Lattice a, b, c: 6.465 Å6.465 Å6.465 Å
Angles α, β, γ: 91.11°91.11°91.11°
Volume: 270.05 Å³
Density: 4.65 g/cm³

Properties

Curie temperature

122 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.25 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 = -140.4440 eV; energy change = -0.1252 eV; symmetry: R-3c → R-3c

ARR license

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Size: 1.48 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

122 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.25 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

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2

DataData

DataData

Overview

template-Ca3CoRhO6 - 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