DyGaNi
DyGaNi is a thermodynamically stable metallic compound consisting of dysprosium, gallium, and nickel.
About DyGaNi
DyGaNi is a metallic intermetallic compound composed of dysprosium, gallium, and nickel. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these three elements that maintains integrity under standard conditions. Its metallic nature suggests significant potential for applications involving electronic transport or magnetic interactions. The compound is characterized by a well-documented structural profile, supported by multiple independent reports across various materials databases. This high level of data richness underscores its significance in the study of rare-earth transition metal alloys.
Key Properties
Cross-validated computational properties for DyGaNi, 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 DyGaNi. 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 DyGaNi, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -5.083 | 9.16 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0084 | -5.075 | 8.90 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 9.61 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 8.91 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 9.11 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.25 |
| No. 0 | unknown | — | — | — | 4.12 |
| — | — | — | — | — | 8.58 |
Applications
Where DyGaNi is used.
Frequently Asked Questions
Common questions about DyGaNi, answered from cross-validated data.
What is DyGaNi?
DyGaNi is a thermodynamically stable metallic compound consisting of dysprosium, gallium, and nickel.
What is DyGaNi used for?
What is the band gap of DyGaNi?
Is DyGaNi a metal, semiconductor, or insulator?
Is DyGaNi thermodynamically stable?
What is the crystal structure of DyGaNi?
What is the density of DyGaNi?
How many polymorphs of DyGaNi are known?
What elements does DyGaNi contain?
Where does the data for DyGaNi come from?
How It Compares
As a stable intermetallic, DyGaNi serves as a representative example of ternary rare-earth-based alloys that exhibit metallic conductivity. While it exists as a distinct structural entity, it fits into the broader landscape of complex intermetallic phases that are essential for understanding how the integration of lanthanides with transition metals and p-block elements influences crystalline stability and electronic behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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