CaMoO2
CaMoO2 is a semiconducting ternary oxide that is considered theoretically stable and a viable candidate for laboratory synthesis.
About CaMoO2
CaMoO2 is a ternary oxide composed of calcium, molybdenum, and oxygen. As a semiconducting material, it occupies a unique electronic space that bridges the gap between traditional insulators and metallic oxides, making it a candidate for specialized electronic applications.
Due to its near-hull thermodynamic stability, this compound is considered a promising target for experimental synthesis. Its presence across multiple structural databases highlights its significance as a material of interest for fundamental solid-state research and potential future technological integration.
Key Properties
Cross-validated computational properties for CaMoO2, 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.
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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CaMoO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Applications
Where CaMoO2 is used.
Frequently Asked Questions
Common questions about CaMoO2, answered from cross-validated data.
What is CaMoO2?
CaMoO2 is a semiconducting ternary oxide that is considered theoretically stable and a viable candidate for laboratory synthesis.
What is CaMoO2 used for?
What is the band gap of CaMoO2?
Is CaMoO2 a metal, semiconductor, or insulator?
Is CaMoO2 thermodynamically stable?
How many polymorphs of CaMoO2 are known?
What elements does CaMoO2 contain?
Where does the data for CaMoO2 come from?
How It Compares
As a member of the diverse family of calcium-molybdenum-oxygen compounds, CaMoO2 represents a distinct stoichiometry that is currently being evaluated for its structural versatility. While many binary and ternary oxides in this chemical space are well-characterized, this specific phase remains an intriguing subject for researchers seeking to expand the library of stable, synthesizable semiconducting materials.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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