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template-Zn3Ni7O10 - relaxed

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Version of · via Relax a crystal structure

template-Zn3Ni7O10

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Structure

Formula: Zn₃Ni₇O₁₀
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 20
Lattice a, b, c: 3.010 Å3.010 Å24.568 Å
Angles α, β, γ: 93.51°90.00°120.00°
Volume: 192.26 Å³
Density: 6.63 g/cm³

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Structure

Formula: Zn₃Ni₇O₁₀
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 20
Lattice a, b, c: 3.010 Å3.010 Å24.568 Å
Angles α, β, γ: 93.51°90.00°120.00°
Volume: 192.26 Å³
Density: 6.63 g/cm³

Properties

Curie temperature

178 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.82 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 = -95.1908 eV; energy change = -0.0007 eV; symmetry: R-3m → R-3m

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Size: 1.4 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

178 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.82 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Zn3Ni7O10 - 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