InAs
InAs has a DFT band gap of 0.57 eV across 77 reported structures in 21 space groups; its lowest-energy polymorph is cubic (F-43m (No. 216)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for InAs, aggregated across 4 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.
0.57 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
77
4 databases, 21 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for InAs, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.0000 | -19.032 | 5.53 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0077 | -19.024 | 5.52 |
| Pa-3 (No. 205) | cubic | 0.57 | 0.1126 | -18.919 | 5.82 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1878 | -18.844 | 6.61 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1985 | -18.833 | 6.52 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.61 |
| Pa-3 (No. 205) | Cubic | — | — | — | 6.03 |
| P1 (No. 1) | Triclinic | — | — | — | 6.87 |
| P1 (No. 1) | Triclinic | — | — | — | 4.73 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.72 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.85 |
Reference
Frequently Asked Questions
Common questions about InAs, answered from cross-validated data.
What is the band gap of InAs?
InAs has a DFT-computed band gap of 0.57 eV across 77 reported structures.
More questions
Is InAs a metal, semiconductor, or insulator?
With a band gap up to 0.57 eV it is a semiconductor.
Is InAs thermodynamically stable?
Yes — InAs sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of InAs?
The lowest-energy reported polymorph of InAs is cubic symmetry, space group F-43m (No. 216).
What is the density of InAs?
The computed density of the ground-state structure of InAs is 5.53 g/cm³.
How many polymorphs of InAs are known?
77 structures of InAs are reported across 4 databases, spanning 21 distinct space groups.
What elements does InAs contain?
InAs contains As and In (2 elements).
Where does the data for InAs come from?
InAs data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other III-V Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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