Cu3Se2
umangite · Cu3Se2
Umangite is a stable, metallic copper selenide mineral frequently studied for its structural and electronic properties.
About umangite
Umangite is a naturally occurring copper selenide mineral that exhibits distinct metallic electronic characteristics. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of copper and selenium atoms that maintains structural integrity under standard conditions. Its metallic nature distinguishes it from many other selenide semiconductors, making it a subject of interest for researchers studying conductive chalcogenide systems. The material is well-documented in crystallographic databases, reflecting its significance in mineralogy and materials science. It serves as a fundamental example of stable stoichiometry in the copper-selenium binary system, providing insights into the bonding and electronic behavior of metal-rich chalcogenides.
Key Properties
Cross-validated computational properties for umangite, 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.
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 Cu3Se2, 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-421m (No. 113) | tetragonal | 0.00 | 0.0000 | -12.423 | 6.70 |
| P3m1 (No. 156) | Trigonal | — | — | — | 3.96 |
| — | — | — | — | — | 6.29 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.16 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.12 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.13 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.08 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.67 |
| P1 (No. 1) | Triclinic | — | — | — | 4.97 |
| P-421m (No. 113) | Tetragonal | — | — | — | 6.75 |
| P-421m (No. 113) | Tetragonal | — | — | — | 6.68 |
| P-421m (No. 113) | Tetragonal | — | — | — | 6.51 |
Applications
Where umangite is used.
Frequently Asked Questions
Common questions about umangite, answered from cross-validated data.
What is Cu3Se2?
Umangite is a stable, metallic copper selenide mineral frequently studied for its structural and electronic properties.
What is Cu3Se2 used for?
What is the band gap of Cu3Se2?
Is Cu3Se2 a metal, semiconductor, or insulator?
Is Cu3Se2 thermodynamically stable?
What is the crystal structure of Cu3Se2?
What is the density of Cu3Se2?
How many polymorphs of Cu3Se2 are known?
What elements does Cu3Se2 contain?
Where does the data for Cu3Se2 come from?
How It Compares
As a stable binary copper selenide, this compound serves as a critical reference point for understanding the phase space of copper-selenium materials. It occupies a unique position in the binary system, characterized by its metallic electronic signature and thermodynamic stability, which differentiates it from more insulating or semiconducting compositions found within the broader family of metal chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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