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template-Mn2Nb2Zn2O9 2 - relaxed 1

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Version of · via Relax a crystal structure

template-Mn2Nb2Zn2O9 2

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Structure

Formula: Mn₂Nb₂Zn₂O₉
Space group: P-3c1 (165)
Crystal system: Trigonal
Atoms per cell: 30
Lattice a, b, c: 5.322 Å5.322 Å14.581 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 357.61 Å³
Density: 5.30 g/cm³

Attribution

Derived

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Results

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Mn2Nb2Zn2O9 phase diagram 2.html
Calculate energy above the convex hull

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Structure

Formula: Mn₂Nb₂Zn₂O₉
Space group: P-3c1 (165)
Crystal system: Trigonal
Atoms per cell: 30
Lattice a, b, c: 5.322 Å5.322 Å14.581 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 357.61 Å³
Density: 5.30 g/cm³

Properties

Curie temperature

90 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.61 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -225.2901 eV; energy change = -0.0074 eV; symmetry: P-3c1 → P-3c1

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Size: 1.79 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

90 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.61 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

Derived

Results

template-Mn2Nb2Zn2O9 2 - relaxed 1

Overview

Structure

Attribution

Derived

Results

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