CrSe
Chromium selenide
Chromium selenide is a binary inorganic compound consisting of chromium and selenium. It is primarily studied in materials science for its magnetic properties and potential utility in advanced electronic and semiconductor research.
CrSe
Overview
Key Properties
Cross-validated computational properties for CrSe, 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.
0.137 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
136
4 databases, 26 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CrSe. 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: medium
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.
2
jarvis, materials_project
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 CrSe, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1368 | -7.113 | 5.74 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.1388 | -7.111 | 5.52 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.72 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 5.14 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pbam (No. 55) | Orthorhombic | — | — | — | 5.09 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.81 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.35 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.44 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.29 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.94 |
Uses
Applications
Where CrSe is used.
Magnetic materials researchSemiconductor developmentSpintronics studies
Reference
Frequently Asked Questions
Common questions about CrSe, answered from cross-validated data.
What is CrSe?
Chromium selenide is a binary inorganic compound consisting of chromium and selenium. It is primarily studied in materials science for its magnetic properties and potential utility in advanced electronic and semiconductor research.
More questions
What is CrSe used for?
CrSe is used in magnetic materials research, semiconductor development, and spintronics studies.
What is the band gap of CrSe?
CrSe is computed to be metallic (no band gap) in the reported DFT structures.
Is CrSe a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CrSe thermodynamically stable?
CrSe has a lowest energy above hull of 0.137 eV/atom (above hull).
What is the crystal structure of CrSe?
The lowest-energy reported polymorph of CrSe is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of CrSe?
The computed density of the ground-state structure of CrSe is 5.74 g/cm³.
How many polymorphs of CrSe are known?
136 structures of CrSe are reported across 4 databases, spanning 26 distinct space groups.
What elements does CrSe contain?
CrSe contains Cr and Se (2 elements).
Where does the data for CrSe come from?
CrSe 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).
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