CaGe
CaGe is a thermodynamically stable metallic intermetallic compound composed of calcium and germanium.
About CaGe
CaGe is a metallic intermetallic compound formed from calcium and germanium. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material is notable for its significant structural complexity, supported by a wide array of reported configurations across multiple databases. Its metallic nature and stability make it an interesting subject for studying the fundamental interactions between alkaline earth metals and group fourteen elements.
Key Properties
Cross-validated computational properties for CaGe, 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 CaGe. 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting CaGe.
Frequently Asked Questions
Common questions about CaGe, answered from cross-validated data.
What is CaGe?
CaGe is a thermodynamically stable metallic intermetallic compound composed of calcium and germanium.
What is the band gap of CaGe?
Is CaGe a metal, semiconductor, or insulator?
Is CaGe thermodynamically stable?
How many polymorphs of CaGe are known?
How is CaGe synthesized?
What elements does CaGe contain?
Where does the data for CaGe come from?
How It Compares
As a standalone entry in this context, CaGe serves as a primary example of a stable binary metallic phase, providing a baseline for understanding how calcium and germanium interact to form complex, ordered structures.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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