CaEu3
This intermetallic compound is composed of calcium and europium. It is primarily studied in the field of condensed matter physics for its unique structural and magnetic properties.
CaEu
Overview
Key Properties
Cross-validated computational properties for CaEu3, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Metallic / not reported
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.024 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Near hull (likely stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
5 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CaEu3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0244 | -30.626 | 4.66 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0367 | -30.614 | 4.63 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0463 | -30.604 | 4.67 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.64 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.71 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.74 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.76 |
| — | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.98 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.60 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.69 |
Uses
Applications
Where CaEu3 is used.
Fundamental materials researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about CaEu3, answered from cross-validated data.
What is CaEu3?
This intermetallic compound is composed of calcium and europium. It is primarily studied in the field of condensed matter physics for its unique structural and magnetic properties.
More questions
What is CaEu3 used for?
CaEu3 is used in fundamental materials research and solid-state physics studies.
What is the band gap of CaEu3?
CaEu3 is computed to be metallic (no band gap) in the reported DFT structures.
Is CaEu3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CaEu3 thermodynamically stable?
CaEu3 has a lowest energy above hull of 0.024 eV/atom (near hull (likely stable)).
What is the crystal structure of CaEu3?
The lowest-energy reported polymorph of CaEu3 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of CaEu3?
The computed density of the ground-state structure of CaEu3 is 4.66 g/cm³.
How many polymorphs of CaEu3 are known?
15 structures of CaEu3 are reported across 5 databases, spanning 3 distinct space groups.
What elements does CaEu3 contain?
CaEu3 contains Ca and Eu (2 elements).
Where does the data for CaEu3 come from?
CaEu3 data is cross-referenced from materials_project, jarvis, mpaloe, alexandria, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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