CaAs
Calcium arsenide is a binary inorganic compound composed of calcium and arsenic. It is primarily utilized in specialized research settings as a precursor for the synthesis of other arsenic-containing materials or as a semiconductor component in experimental electronic devices.
Key Properties
Cross-validated computational properties for CaAs, aggregated across 4 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for CaAs, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 0.00 | 0.0000 | -12.147 | 3.59 |
| Pbcn (No. 60) | orthorhombic | 0.31 | 0.3566 | -11.791 | 2.65 |
| P1 (No. 1) | Triclinic | — | — | — | 4.45 |
| P1 (No. 1) | Triclinic | — | — | — | 2.67 |
| P1 (No. 1) | Triclinic | — | — | — | 3.13 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.49 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.52 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.34 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.65 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.13 |
| P1 (No. 1) | Triclinic | — | — | — | 3.39 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.93 |
Applications
Where CaAs is used.
Frequently Asked Questions
Common questions about CaAs, answered from cross-validated data.
What is CaAs?
Calcium arsenide is a binary inorganic compound composed of calcium and arsenic. It is primarily utilized in specialized research settings as a precursor for the synthesis of other arsenic-containing materials or as a semiconductor component in experimental electronic devices.
What is CaAs used for?
What is the band gap of CaAs?
Is CaAs a metal, semiconductor, or insulator?
Is CaAs thermodynamically stable?
What is the crystal structure of CaAs?
What is the density of CaAs?
How many polymorphs of CaAs are known?
What elements does CaAs contain?
Where does the data for CaAs come from?
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).
Analyze CaAs in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →