Al3Mo
This is an intermetallic compound composed of aluminum and molybdenum. It is primarily studied for its structural properties and potential use in high-temperature environments where material stability is critical.
AlMo
Overview
Key Properties
Cross-validated computational properties for Al3Mo, aggregated across 6 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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
33
6 databases, 10 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Al3Mo. 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: high
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.
3
jarvis, 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 Al3Mo, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.0000 | -11.931 | 4.91 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.66 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 4.73 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 3.78 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 5.79 |
| — | — | — | — | — | 4.58 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.01 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.09 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.48 |
| C2/m (No. 12) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.39 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.18 |
Uses
Applications
Where Al3Mo is used.
High-temperature structural materialsMaterials science researchAlloy development
Reference
Frequently Asked Questions
Common questions about Al3Mo, answered from cross-validated data.
What is Al3Mo?
This is an intermetallic compound composed of aluminum and molybdenum. It is primarily studied for its structural properties and potential use in high-temperature environments where material stability is critical.
More questions
What is Al3Mo used for?
Al3Mo is used in high-temperature structural materials, materials science research, and alloy development.
What is the band gap of Al3Mo?
Al3Mo is computed to be metallic (no band gap) in the reported DFT structures.
Is Al3Mo a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al3Mo thermodynamically stable?
Yes — Al3Mo sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al3Mo?
The lowest-energy reported polymorph of Al3Mo is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Al3Mo?
The computed density of the ground-state structure of Al3Mo is 4.91 g/cm³.
How many polymorphs of Al3Mo are known?
33 structures of Al3Mo are reported across 6 databases, spanning 10 distinct space groups.
What elements does Al3Mo contain?
Al3Mo contains Al and Mo (2 elements).
Where does the data for Al3Mo come from?
Al3Mo data is cross-referenced from materials_project, mpaloe, omat24, jarvis, cod, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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