CeNiGe
CeNiGe is a stable semimetallic intermetallic compound composed of cerium, nickel, and germanium.
About CeNiGe
CeNiGe is a thermodynamically stable ternary intermetallic compound that sits directly on the convex hull, indicating high structural integrity. Its electronic character is defined as a near-zero-gap semimetal, placing it in a unique regime where conduction behavior is sensitive to subtle structural variations.
Because of its robust stability and distinct electronic profile, this material serves as an important subject for fundamental research into rare-earth nickel germanides. It is frequently studied for its potential role in understanding complex magnetic and electronic phase transitions in intermetallic systems.
Key Properties
Cross-validated computational properties for CeNiGe, 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 CeNiGe. 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 CeNiGe, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.06 | 0.0000 | -6.191 | 7.85 |
| Pnma (No. 62) | orthorhombic | 0.04 | 0.0000 | -0.794 | — |
| — | — | 0.00 | 0.0000 | -0.677 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0069 | -6.185 | 8.07 |
| — | — | 0.00 | 0.0115 | -0.666 | — |
| — | — | 0.00 | 0.0312 | -0.646 | — |
| P63/mmc (No. 194) | hexagonal | 0.05 | 0.0433 | -0.750 | — |
| — | — | 0.00 | 0.1111 | -0.566 | — |
| — | — | 0.00 | 0.5372 | -0.140 | — |
| — | — | 0.00 | 0.5502 | -0.127 | — |
| — | — | 0.00 | 0.9773 | 0.300 | — |
| P63/mmc (No. 194) | hexagonal | — | — | — | 7.99 |
Applications
Where CeNiGe is used.
Frequently Asked Questions
Common questions about CeNiGe, answered from cross-validated data.
What is CeNiGe?
CeNiGe is a stable semimetallic intermetallic compound composed of cerium, nickel, and germanium.
What is CeNiGe used for?
What is the band gap of CeNiGe?
Is CeNiGe a metal, semiconductor, or insulator?
Is CeNiGe thermodynamically stable?
What is the crystal structure of CeNiGe?
How many polymorphs of CeNiGe are known?
What elements does CeNiGe contain?
Where does the data for CeNiGe come from?
How It Compares
As a thermodynamically stable semimetallic phase, CeNiGe represents a well-defined point in the landscape of ternary rare-earth germanides. It stands out for its structural consistency across multiple databases, serving as a reliable benchmark for researchers investigating the interplay between cerium-based magnetism and nickel-germanium lattice dynamics.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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