inJul 3

Altermagnet CrO rocksalt CIF - relaxed

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Version of · via Relax a crystal structure

Altermagnet CrO rocksalt CIF

33

Structure

Formula: CrO
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 4.208 Å5.352 Å4.205 Å
Angles α, β, γ: 89.99°90.09°89.99°
Volume: 94.69 Å³
Density: 4.77 g/cm³

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Predict Curie temperature from a CIF, Success

Structure

Formula: CrO
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 4.208 Å5.352 Å4.205 Å
Angles α, β, γ: 89.99°90.09°89.99°
Volume: 94.69 Å³
Density: 4.77 g/cm³

Properties

Curie temperature

184 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -61.8790 eV; energy change = -2.2074 eV; symmetry: Fm-3m → I4/mmm

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Stats

Size: 939 B
Type: .cif file
Downloads: 0

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Properties

Curie temperature

184 KCHGNet + CatBoost
Predict Curie temperature from a CIF

50

Connections

2

Included in datasets

Actions

Predict Curie temperature from a CIF, Success

DataData

DataData

Overview

Altermagnet CrO rocksalt CIF - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Attribution

Stats

Properties

Curie temperature

Connections

Included in datasets

Actions

Data

Data