Ca3GeO
Ca3GeO is a stable semiconducting oxide compound composed of calcium, germanium, and oxygen.
About Ca3GeO
Ca3GeO is a distinct ternary oxide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of calcium, germanium, and oxygen atoms. Its stability suggests potential for reliable performance in specialized electronic or optoelectronic environments where consistent material integrity is required.
With multiple reported structures across various databases, this compound is a subject of significant interest for materials scientists investigating complex oxide systems. Its unique stoichiometry allows for nuanced electronic tuning, making it a valuable candidate for fundamental studies into how structural variations influence the semiconducting behavior of germanium-based oxides.
Key Properties
Cross-validated computational properties for Ca3GeO, 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 Ca3GeO. 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 Ca3GeO, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.14 | 0.0000 | -4.825 | 3.30 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -1.753 | — |
| — | — | 0.00 | 0.0014 | -1.668 | — |
| — | — | 0.00 | 0.0025 | -1.667 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0030 | -4.822 | 3.31 |
| Pnma (No. 62) | orthorhombic | — | — | — | 3.28 |
| Imma (No. 74) | orthorhombic | — | — | — | 3.30 |
| Imma (No. 74) | orthorhombic | — | — | — | 3.31 |
| Imma (No. 74) | orthorhombic | — | — | — | 3.25 |
| Imma (No. 74) | orthorhombic | — | — | — | 3.30 |
| Pm-3m (No. 221) | cubic | — | — | — | 3.25 |
| Pm-3m (No. 221) | cubic | — | — | — | 3.31 |
Applications
Where Ca3GeO is used.
Frequently Asked Questions
Common questions about Ca3GeO, answered from cross-validated data.
What is Ca3GeO?
Ca3GeO is a stable semiconducting oxide compound composed of calcium, germanium, and oxygen.
What is Ca3GeO used for?
What is the band gap of Ca3GeO?
Is Ca3GeO a metal, semiconductor, or insulator?
Is Ca3GeO thermodynamically stable?
What is the crystal structure of Ca3GeO?
How many polymorphs of Ca3GeO are known?
What elements does Ca3GeO contain?
Where does the data for Ca3GeO come from?
How It Compares
As a thermodynamically stable semiconducting oxide, Ca3GeO serves as a foundational example of this specific chemical composition, providing a benchmark for researchers exploring the broader landscape of calcium-germanium-oxygen systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Ca3GeO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →