CaCrO4
calcium chromate · calcium chromium oxide
Calcium chromate is an inorganic compound that typically appears as a bright yellow solid. It is primarily utilized for its anti-corrosive properties in protective coatings and as a pigment in various industrial applications.
Key Properties
Cross-validated computational properties for calcium chromate, 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.
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 CaCrO4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 2.37 | 0.0000 | -7.674 | 3.15 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | Tetragonal | — | — | — | 3.03 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 3.24 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 3.09 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CaCrO4.
Applications
Where calcium chromate is used.
Frequently Asked Questions
Common questions about calcium chromate, answered from cross-validated data.
What is CaCrO4?
Calcium chromate is an inorganic compound that typically appears as a bright yellow solid. It is primarily utilized for its anti-corrosive properties in protective coatings and as a pigment in various industrial applications.
What is CaCrO4 used for?
What is the band gap of CaCrO4?
Is CaCrO4 a metal, semiconductor, or insulator?
Is CaCrO4 thermodynamically stable?
What is the crystal structure of CaCrO4?
What is the density of CaCrO4?
How many polymorphs of CaCrO4 are known?
How is CaCrO4 synthesized?
What elements does CaCrO4 contain?
Where does the data for CaCrO4 come from?
Related Compounds
Other Spinel Oxide Catalysts in the database.
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.
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