AsEuGa
AsEuGa is a thermodynamically stable, semimetallic ternary compound containing arsenic, europium, and gallium.
About AsEuGa
AsEuGa is a unique ternary compound composed of arsenic, europium, and gallium. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, offering researchers a reliable baseline for studying complex intermetallic interactions.
Characterized by a near-zero-gap electronic structure, this material functions as a semimetal. Its electronic nature makes it a subject of interest for fundamental studies into how rare-earth elements influence the conductive pathways of pnictide-based ternary systems.
Key Properties
Cross-validated computational properties for AsEuGa, 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 AsEuGa. 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 AsEuGa, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 0.02 | 0.0000 | -5.778 | 6.91 |
| No. 0 | unknown | — | — | — | 4.16 |
| — | — | — | — | — | 6.61 |
Frequently Asked Questions
Common questions about AsEuGa, answered from cross-validated data.
What is AsEuGa?
AsEuGa is a thermodynamically stable, semimetallic ternary compound containing arsenic, europium, and gallium.
What is the band gap of AsEuGa?
Is AsEuGa a metal, semiconductor, or insulator?
Is AsEuGa thermodynamically stable?
What is the crystal structure of AsEuGa?
What is the density of AsEuGa?
How many polymorphs of AsEuGa are known?
What elements does AsEuGa contain?
Where does the data for AsEuGa come from?
How It Compares
As a standalone ternary phase in this specific chemical space, AsEuGa serves as a primary reference point for understanding the interplay between lanthanide magnetism and semimetallic transport properties in gallium-arsenic frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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