CaMo5O8
CaMo5O8 is a metastable, semiconducting ternary oxide containing calcium and molybdenum.
About CaMo5O8
CaMo5O8 is a complex ternary oxide featuring calcium, molybdenum, and oxygen. As a semiconducting material, it represents a specialized composition within the broader landscape of molybdenum-based oxides, offering unique electronic properties that distinguish it from simpler binary systems. Its structural arrangement is a subject of interest for researchers investigating the interplay between transition metal oxidation states and oxygen coordination environments. Due to its position above the thermodynamic hull, CaMo5O8 is considered a metastable compound. This classification suggests that while it may be synthesized under specific experimental conditions, it exists in a state of higher energy relative to its constituent elements or more stable phase mixtures. Understanding such metastable oxides is vital for advancing synthesis techniques and exploring unconventional material phases.
Key Properties
Cross-validated computational properties for CaMo5O8, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CaMo5O8. 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.
Reported Structures
Lowest-energy structures reported for CaMo5O8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.09 | 0.2778 | -8.585 | 5.27 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.68 |
Frequently Asked Questions
Common questions about CaMo5O8, answered from cross-validated data.
What is CaMo5O8?
CaMo5O8 is a metastable, semiconducting ternary oxide containing calcium and molybdenum.
What is the band gap of CaMo5O8?
Is CaMo5O8 a metal, semiconductor, or insulator?
Is CaMo5O8 thermodynamically stable?
What is the crystal structure of CaMo5O8?
What is the density of CaMo5O8?
How many polymorphs of CaMo5O8 are known?
What elements does CaMo5O8 contain?
Where does the data for CaMo5O8 come from?
How It Compares
As a unique ternary oxide, CaMo5O8 occupies a distinct niche in materials science. Unlike more common, highly stable binary oxides, this compound represents a more complex structural challenge, serving as a case study for the synthesis of metastable phases that do not readily form under standard equilibrium conditions.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze CaMo5O8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →