Ca3Ge4

Ca3Ge4 is a semiconducting intermetallic compound of calcium and germanium that is considered a viable candidate for laboratory synthesis.

CaGe
Crystal structure of Ca3Ge4 (hexagonal, P63/m (No. 176))
Ground-state structure · Materials Project
Overview

About Ca3Ge4

Ca3Ge4 is a binary intermetallic compound composed of calcium and germanium. It exhibits semiconducting electronic behavior, positioning it as a material of interest for fundamental studies in solid-state physics and potential electronic device applications. The compound is categorized as near-hull, indicating that it is thermodynamically stable enough to be considered a viable target for experimental synthesis. With multiple reported structures across various databases, it represents a well-documented phase within the calcium-germanium binary system.

At a glance

Key Properties

Cross-validated computational properties for Ca3Ge4, aggregated across 3 databases.

Band Gap

0.33 eV
Range across DFT structures

Energy Above Hull

0.010 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

8
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ca3Ge4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/m (No. 176)hexagonal0.330.0098-11.6014.00
P6/mmm (No. 191)
P-1 (No. 2)Triclinic2.73
P-1 (No. 2)Triclinic3.04
Cm (No. 8)Monoclinic2.94
P-1 (No. 2)Triclinic3.26
Cm (No. 8)Monoclinic3.27
Cm (No. 8)Monoclinic3.13
Uses

Applications

Where Ca3Ge4 is used.

Solid-state researchSemiconductor materials development
Reference

Frequently Asked Questions

Common questions about Ca3Ge4, answered from cross-validated data.

What is Ca3Ge4?

Ca3Ge4 is a semiconducting intermetallic compound of calcium and germanium that is considered a viable candidate for laboratory synthesis.

More questions
What is Ca3Ge4 used for?
Ca3Ge4 is used in solid-state research and semiconductor materials development.
What is the band gap of Ca3Ge4?
Ca3Ge4 has a DFT-computed band gap of 0.33 eV across 8 reported structures.
Is Ca3Ge4 a metal, semiconductor, or insulator?
With a band gap up to 0.33 eV it is a semiconductor.
Is Ca3Ge4 thermodynamically stable?
Ca3Ge4 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
What is the crystal structure of Ca3Ge4?
The lowest-energy reported polymorph of Ca3Ge4 is hexagonal symmetry, space group P63/m (No. 176).
What is the density of Ca3Ge4?
The computed density of the ground-state structure of Ca3Ge4 is 4.00 g/cm³.
How many polymorphs of Ca3Ge4 are known?
8 structures of Ca3Ge4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Ca3Ge4 contain?
Ca3Ge4 contains Ca and Ge (2 elements).
Where does the data for Ca3Ge4 come from?
Ca3Ge4 data is cross-referenced from materials_project, aflow, mpaloe.
Comparison

How It Compares

As a distinct phase in the calcium-germanium system, Ca3Ge4 serves as a representative example of the complex structural diversity found in alkaline-earth metal germanides. It occupies a specific niche where its electronic properties and structural stability make it a valuable reference point for understanding the bonding characteristics and phase transitions inherent to this class of semiconducting intermetallics.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • mpaloe — Data from mpaloe.

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