Tags: Europia Dieuropium trioxide Europium oxide Europium oxide (2/3)

Material Details

Final Magnetic Moment
12.015 μB

Calculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit.

Magnetic Ordering
Formation Energy / Atom
-3.170 eV

Calculated formation energy from the elements normalized to per atom in the unit cell.

Energy Above Hull / Atom
0.000 eV

The energy of decomposition of this material into the set of most stable materials at this chemical composition, in eV/atom. Stability is tested against all potential chemical combinations that result in the material's composition. For example, a Co2O3 structure would be tested for decomposition against other Co2O3 structures, against Co and O2 mixtures, and against CoO and O2 mixtures.

7.07 g/cm3

The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%)

Decomposes To
Band Gap
0.000 eV

In general, band gaps computed with common exchange-correlation functionals such as the LDA and GGA are severely underestimated. Typically the disagreement is reported to be ~50% in the literature. Some internal testing by the Materials Project supports these statements; typically, we find that band gaps are underestimated by ~40%. We additionally find that several known insulators are predicted to be metallic.

Space Group

Hermann Mauguin
Ia3 [206]
-I 2b 2c 3
Point Group
Crystal System
We have not yet calculated a detailed bandstructure for this material

X-Ray Diffraction

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Calculated powder diffraction pattern; note that peak spacings may be affected due to inaccuracies in calculated cell volume, which is typically overestimated on average by 3% (+/- 6%)


A full elastic tensor has not been calculated for this material. Registered users can view statistical-learning-based predictions of this material's bulk and shear moduli.

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Synthesis Descriptions

Novel -SiAlON:Eu2+-based yellow oxynitride phosphors with the formula Sr0.375xEux2+Si12mnAlm+nOnN16n (m=0.75, n=x=0.0040.04) have been prepared by firing the powder mixture of SrSi2, -Si3 [...]
Eu suppressed the grain size from approximately 100 m for pure Eu2O3 to 6 m when the specimens were fired at 1800 C in air for one hour. Three at % substitution of Ta for Eu suppressed the grain si [...]
chef hat mixing beaker

Explore more synthesis descriptions for materials of composition Eu2O3.

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Calculation Summary

Structure Optimization

Run Type
Energy Cutoff
520 eV
# of K-points
U Values
Final Energy/Atom
-9.8438 eV
Corrected Energy
-410.2394 eV
Uncorrected energy = -393.7514 eV Composition-based energy adjustment (-0.687 eV/atom x 24.0 atoms) = -16.4880 eV Corrected energy = -410.2394 eV

Detailed input parameters and outputs for all calculations

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  • Dieuropium trioxide

Displaying lattice parameters for primitive cell; note that calculated cell volumes are typically overestimated on average by 3% (+/- 6%). Note the primitive cell may appear less symmetric than the conventional cell representation (see "Structure Type" selector below the 3d structure)