Al2MnSc
This compound is a ternary intermetallic material composed of aluminum, manganese, and scandium. It is primarily studied in materials science research for its structural properties and potential use in advanced alloy development.
AlMnSc
Overview
Key Properties
Cross-validated computational properties for Al2MnSc, 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.
Metallic / not reported
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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
5 databases, 2 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Al2MnSc. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for Al2MnSc, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -5.946 | 4.22 |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.82 |
| I4/mmm (No. 139) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.66 |
| — | — | — | — | — | 3.95 |
| — | — | — | — | — | 4.03 |
| — | — | — | — | — | 4.03 |
Uses
Applications
Where Al2MnSc is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about Al2MnSc, answered from cross-validated data.
What is Al2MnSc?
This compound is a ternary intermetallic material composed of aluminum, manganese, and scandium. It is primarily studied in materials science research for its structural properties and potential use in advanced alloy development.
More questions
What is Al2MnSc used for?
Al2MnSc is used in materials science research and alloy development studies.
What is the band gap of Al2MnSc?
Al2MnSc is computed to be metallic (no band gap) in the reported DFT structures.
Is Al2MnSc a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al2MnSc thermodynamically stable?
Yes — Al2MnSc sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al2MnSc?
The lowest-energy reported polymorph of Al2MnSc is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Al2MnSc?
The computed density of the ground-state structure of Al2MnSc is 4.22 g/cm³.
How many polymorphs of Al2MnSc are known?
8 structures of Al2MnSc are reported across 5 databases, spanning 2 distinct space groups.
What elements does Al2MnSc contain?
Al2MnSc contains Al, Mn, and Sc (3 elements).
Where does the data for Al2MnSc come from?
Al2MnSc data is cross-referenced from materials_project, alexandria, omat24, nomad, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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