CeAs2
Cerium diarsenide is a binary inorganic compound composed of cerium and arsenic. It is primarily studied in the field of condensed matter physics for its unique electronic and magnetic properties.
AsCe
Overview
Key Properties
Cross-validated computational properties for CeAs2, aggregated across 3 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.
0.07 eV
Range across DFT structures
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.
0.052 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
24
3 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CeAs2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.07 | 0.0515 | -21.207 | 7.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.85 |
| P1 (No. 1) | Triclinic | — | — | — | 5.65 |
| P42/mmc (No. 131) | Tetragonal | — | — | — | 3.26 |
| P42/mmc (No. 131) | Tetragonal | — | — | — | 3.59 |
| P42/mmc (No. 131) | Tetragonal | — | — | — | 3.57 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.29 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.36 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.84 |
Uses
Applications
Where CeAs2 is used.
Solid-state physics researchMaterials science studiesMagnetic property investigation
Reference
Frequently Asked Questions
Common questions about CeAs2, answered from cross-validated data.
What is CeAs2?
Cerium diarsenide is a binary inorganic compound composed of cerium and arsenic. It is primarily studied in the field of condensed matter physics for its unique electronic and magnetic properties.
More questions
What is CeAs2 used for?
CeAs2 is used in solid-state physics research, materials science studies, and magnetic property investigation.
What is the band gap of CeAs2?
CeAs2 has a DFT-computed band gap of 0.07 eV across 24 reported structures.
Is CeAs2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is CeAs2 thermodynamically stable?
CeAs2 has a lowest energy above hull of 0.052 eV/atom (metastable).
What is the crystal structure of CeAs2?
The lowest-energy reported polymorph of CeAs2 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of CeAs2?
The computed density of the ground-state structure of CeAs2 is 7.01 g/cm³.
How many polymorphs of CeAs2 are known?
24 structures of CeAs2 are reported across 3 databases, spanning 8 distinct space groups.
What elements does CeAs2 contain?
CeAs2 contains As and Ce (2 elements).
Where does the data for CeAs2 come from?
CeAs2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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