CrSe2
Chromium diselenide
Chromium diselenide is a transition metal dichalcogenide known for its layered crystalline structure. It is primarily studied for its potential in advanced electronics and as a material for energy storage research.
CrSe
Overview
Key Properties
Cross-validated computational properties for CrSe2, 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.
0.000 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.
82
4 databases, 20 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CrSe2, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0000 | -6.317 | 5.60 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0154 | -6.301 | 2.87 |
| F-43m (No. 216) | cubic | 0.00 | 0.0246 | -6.292 | 5.41 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0267 | -6.290 | 5.48 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.71 |
| P-3m1 (No. 164) | — | — | — | — | — |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 6.34 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 6.02 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.80 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.70 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.37 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.44 |
Uses
Applications
Where CrSe2 is used.
Semiconductor researchPhotodetector developmentElectrocatalysisLubricant additives
Reference
Frequently Asked Questions
Common questions about CrSe2, answered from cross-validated data.
What is CrSe2?
Chromium diselenide is a transition metal dichalcogenide known for its layered crystalline structure. It is primarily studied for its potential in advanced electronics and as a material for energy storage research.
More questions
What is CrSe2 used for?
CrSe2 is used in semiconductor research, photodetector development, electrocatalysis, and lubricant additives.
What is the band gap of CrSe2?
CrSe2 is computed to be metallic (no band gap) in the reported DFT structures.
Is CrSe2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CrSe2 thermodynamically stable?
Yes — CrSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CrSe2?
The lowest-energy reported polymorph of CrSe2 is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of CrSe2?
The computed density of the ground-state structure of CrSe2 is 5.60 g/cm³.
How many polymorphs of CrSe2 are known?
82 structures of CrSe2 are reported across 4 databases, spanning 20 distinct space groups.
What elements does CrSe2 contain?
CrSe2 contains Cr and Se (2 elements).
Where does the data for CrSe2 come from?
CrSe2 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
Analyze CrSe2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →