Al32Ge32Nd32
This compound is a ternary intermetallic material composed of aluminum, germanium, and neodymium. It is primarily studied by researchers investigating the structural and electronic properties of complex metallic phases.
AlGeNd
Overview
Key Properties
Cross-validated computational properties for Al32Ge32Nd32, 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.
0.21 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al32Ge32Nd32, 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. |
|---|---|---|---|---|---|
| I41md (No. 109) | tetragonal | 0.21 | 0.0000 | -17.452 | 6.07 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0000 | -14.645 | 6.23 |
| — | — | — | — | — | 5.57 |
| No. 0 | unknown | — | — | — | 3.76 |
Uses
Applications
Where Al32Ge32Nd32 is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about Al32Ge32Nd32, answered from cross-validated data.
What is Al32Ge32Nd32?
This compound is a ternary intermetallic material composed of aluminum, germanium, and neodymium. It is primarily studied by researchers investigating the structural and electronic properties of complex metallic phases.
More questions
What is Al32Ge32Nd32 used for?
Al32Ge32Nd32 is used in materials science research and solid-state physics studies.
What is the band gap of Al32Ge32Nd32?
Al32Ge32Nd32 has a DFT-computed band gap of 0.21 eV across 4 reported structures.
Is Al32Ge32Nd32 a metal, semiconductor, or insulator?
With a band gap up to 0.21 eV it is a semiconductor.
Is Al32Ge32Nd32 thermodynamically stable?
Yes — Al32Ge32Nd32 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al32Ge32Nd32?
The lowest-energy reported polymorph of Al32Ge32Nd32 is tetragonal symmetry, space group I41md (No. 109).
What is the density of Al32Ge32Nd32?
The computed density of the ground-state structure of Al32Ge32Nd32 is 6.07 g/cm³.
How many polymorphs of Al32Ge32Nd32 are known?
4 structures of Al32Ge32Nd32 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Al32Ge32Nd32 contain?
Al32Ge32Nd32 contains Al, Ge, and Nd (3 elements).
Where does the data for Al32Ge32Nd32 come from?
Al32Ge32Nd32 data is cross-referenced from materials_project, omat24, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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