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TCTP-TCSP p1/3 k4 topology 2cd4aec43a5c Mo-B-Fe Orb survivor 21cd326a40 - relaxed

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Version of · via Relax a crystal structure

TCTP-TCSP p1/3 k4 topology 2cd4aec43a5c Mo-B-Fe Orb survivor 21cd326a40

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Structure

Formula: Fe₂B₂Mo₃
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 14
Lattice a, b, c: 8.910 Å5.826 Å3.176 Å
Angles α, β, γ: 90.00°90.00°78.71°
Volume: 161.68 Å³
Density: 8.65 g/cm³

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Structure

Formula: Fe₂B₂Mo₃
Space group: P2/m (10)
Crystal system: Monoclinic
Atoms per cell: 14
Lattice a, b, c: 8.910 Å5.826 Å3.176 Å
Angles α, β, γ: 90.00°90.00°78.71°
Volume: 161.68 Å³
Density: 8.65 g/cm³

Properties

Curie temperature

232 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Magnetic moment

0.59 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -128.1569 eV; energy change = -0.0193 eV; symmetry: P2/m → P2/m

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Size: 1.17 KB
Type: .cif file
Downloads: 0

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Properties

Curie temperature

232 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Magnetic moment

0.59 μB/atomABACUS DFT
Magnetic moments

Saturation magnetization

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DataData

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Overview

TCTP-TCSP p1/3 k4 topology 2cd4aec43a5c Mo-B-Fe Orb survivor 21cd326a40 - relaxed

Overview

Structure

Attribution

Actions

Structure

Properties

Curie temperature

Magnetic moment

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Magnetic moment

Saturation magnetization

Actions

Data

Data