CrSe2Zn
CrSe2Zn is a stable, semimetallic compound composed of chromium, selenium, and zinc that is primarily utilized in fundamental materials science research.
About CrSe2Zn
CrSe2Zn is a stable inorganic compound that exists on the convex hull, indicating high thermodynamic favorability. Its electronic character is defined as near-zero-gap, placing it in the category of semimetallic materials that exhibit interesting conductive behaviors.
Because it is a data-rich material with multiple reported structural configurations, it serves as a valuable subject for fundamental solid-state research. Its specific arrangement of chromium, selenium, and zinc atoms allows for the exploration of electronic properties that bridge the gap between traditional semiconductors and metals.
Key Properties
Cross-validated computational properties for CrSe2Zn, aggregated across 3 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for CrSe2Zn, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.04 | 0.0000 | -5.801 | 5.46 |
| I4/mcm (No. 140) | — | — | — | — | — |
| — | — | — | — | — | 5.89 |
| — | — | — | — | — | 6.40 |
| Pna21 (No. 33) | — | — | — | — | — |
Applications
Where CrSe2Zn is used.
Frequently Asked Questions
Common questions about CrSe2Zn, answered from cross-validated data.
What is CrSe2Zn?
CrSe2Zn is a stable, semimetallic compound composed of chromium, selenium, and zinc that is primarily utilized in fundamental materials science research.
What is CrSe2Zn used for?
What is the band gap of CrSe2Zn?
Is CrSe2Zn a metal, semiconductor, or insulator?
Is CrSe2Zn thermodynamically stable?
What is the crystal structure of CrSe2Zn?
What is the density of CrSe2Zn?
How many polymorphs of CrSe2Zn are known?
What elements does CrSe2Zn contain?
Where does the data for CrSe2Zn come from?
How It Compares
As a thermodynamically stable semimetallic phase, CrSe2Zn represents a distinct structural arrangement within its chemical family. While it currently stands as a unique entry in this context, its stability and electronic profile make it a critical reference point for understanding how transition metal chalcogenides can be tuned for specific electronic applications.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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