As2W
This compound is a binary inorganic material composed of arsenic and tungsten. It is primarily studied in the field of solid-state chemistry for its structural properties and potential electronic characteristics.
AsW
Overview
Key Properties
Cross-validated computational properties for As2W, 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.
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.
0.016 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.
Near hull (likely stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
91
4 databases, 16 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for As2W, 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 | 0.0157 | -26.989 | 10.83 |
| C2 (No. 5) | Monoclinic | — | — | — | 12.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.09 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 8.36 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 13.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.18 |
| P2/m (No. 10) | Monoclinic | — | — | — | 7.61 |
| P2/m (No. 10) | Monoclinic | — | — | — | 7.58 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 9.83 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 7.49 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 10.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.85 |
Uses
Applications
Where As2W is used.
Materials science researchSolid-state physics investigations
Reference
Frequently Asked Questions
Common questions about As2W, answered from cross-validated data.
What is As2W?
This compound is a binary inorganic material composed of arsenic and tungsten. It is primarily studied in the field of solid-state chemistry for its structural properties and potential electronic characteristics.
More questions
What is As2W used for?
As2W is used in materials science research and solid-state physics investigations.
What is the band gap of As2W?
As2W is computed to be metallic (no band gap) in the reported DFT structures.
Is As2W a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is As2W thermodynamically stable?
As2W has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of As2W?
The lowest-energy reported polymorph of As2W is monoclinic symmetry, space group C2/m (No. 12).
What is the density of As2W?
The computed density of the ground-state structure of As2W is 10.83 g/cm³.
How many polymorphs of As2W are known?
91 structures of As2W are reported across 4 databases, spanning 16 distinct space groups.
What elements does As2W contain?
As2W contains As and W (2 elements).
Where does the data for As2W come from?
As2W data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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