Ca2Ge
Calcium germanide is an intermetallic compound composed of calcium and germanium. It is primarily utilized in specialized materials research and as a precursor in the synthesis of more complex germanium-based structures.
CaGe
Overview
Key Properties
Cross-validated computational properties for Ca2Ge, 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.
0.30–0.58 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
34
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ca2Ge, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.58 | 0.0000 | -10.031 | 2.73 |
| Pnma (No. 62) | orthorhombic | 0.30 | 0.0017 | -10.029 | 3.03 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.12 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.13 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.79 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.78 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.98 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.39 |
Uses
Applications
Where Ca2Ge is used.
Materials science researchChemical synthesis precursor
Reference
Frequently Asked Questions
Common questions about Ca2Ge, answered from cross-validated data.
What is Ca2Ge?
Calcium germanide is an intermetallic compound composed of calcium and germanium. It is primarily utilized in specialized materials research and as a precursor in the synthesis of more complex germanium-based structures.
More questions
What is Ca2Ge used for?
Ca2Ge is used in materials science research and chemical synthesis precursor.
What is the band gap of Ca2Ge?
Ca2Ge has a DFT-computed band gap of 0.30–0.58 eV across 34 reported structures.
Is Ca2Ge a metal, semiconductor, or insulator?
With a band gap up to 0.58 eV it is a semiconductor.
Is Ca2Ge thermodynamically stable?
Yes — Ca2Ge sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ca2Ge?
The lowest-energy reported polymorph of Ca2Ge is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Ca2Ge?
The computed density of the ground-state structure of Ca2Ge is 2.73 g/cm³.
How many polymorphs of Ca2Ge are known?
34 structures of Ca2Ge are reported across 3 databases, spanning 7 distinct space groups.
What elements does Ca2Ge contain?
Ca2Ge contains Ca and Ge (2 elements).
Where does the data for Ca2Ge come from?
Ca2Ge data is cross-referenced from materials_project, jarvis, mpaloe.
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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