CeSe2
Cerium diselenide is a rare earth chalcogenide that functions as a semiconductor material. It is primarily utilized in specialized research settings for investigating electronic and magnetic properties in solid-state physics.
CeSe
Overview
Key Properties
Cross-validated computational properties for CeSe2, 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.
0.02–1.23 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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
258
5 databases, 90 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CeSe2, 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. |
|---|---|---|---|---|---|
| Pmc21 (No. 26) | orthorhombic | 0.00 | 0.0000 | -6.249 | 6.19 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0228 | -6.226 | 6.59 |
| Pnma (No. 62) | orthorhombic | 0.05 | 0.0315 | -6.217 | 6.76 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0328 | -6.216 | 6.70 |
| Fm-3m (No. 225) | cubic | 0.78 | 0.0336 | -6.215 | 6.08 |
| Fm-3m (No. 225) | cubic | 0.81 | 0.0340 | -6.215 | 6.04 |
| P3221 (No. 154) | trigonal | 0.71 | 0.0342 | -6.214 | 5.99 |
| P3221 (No. 154) | trigonal | 0.72 | 0.0343 | -6.214 | 6.04 |
| Pmmn (No. 59) | orthorhombic | 0.74 | 0.0366 | -6.212 | 6.00 |
| P-62m (No. 189) | hexagonal | 0.02 | 0.0416 | -6.207 | 6.78 |
| P21/c (No. 14) | monoclinic | 0.51 | 0.0467 | -6.202 | 5.85 |
| Pbca (No. 61) | orthorhombic | 0.52 | 0.0493 | -6.199 | 5.80 |
Uses
Applications
Where CeSe2 is used.
Semiconductor researchMaterials science studiesSolid-state physics experiments
Reference
Frequently Asked Questions
Common questions about CeSe2, answered from cross-validated data.
What is CeSe2?
Cerium diselenide is a rare earth chalcogenide that functions as a semiconductor material. It is primarily utilized in specialized research settings for investigating electronic and magnetic properties in solid-state physics.
More questions
What is CeSe2 used for?
CeSe2 is used in semiconductor research, materials science studies, and solid-state physics experiments.
What is the band gap of CeSe2?
CeSe2 has a DFT-computed band gap of 0.02–1.23 eV across 258 reported structures.
Is CeSe2 a metal, semiconductor, or insulator?
With a band gap up to 1.23 eV it is a semiconductor.
Is CeSe2 thermodynamically stable?
Yes — CeSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CeSe2?
The lowest-energy reported polymorph of CeSe2 is orthorhombic symmetry, space group Pmc21 (No. 26).
What is the density of CeSe2?
The computed density of the ground-state structure of CeSe2 is 6.19 g/cm³.
How many polymorphs of CeSe2 are known?
258 structures of CeSe2 are reported across 5 databases, spanning 90 distinct space groups.
What elements does CeSe2 contain?
CeSe2 contains Ce and Se (2 elements).
Where does the data for CeSe2 come from?
CeSe2 data is cross-referenced from materials_project.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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