Cl2Cu1Mn1
Cl2Cu1Mn1 is a semiconducting ternary chloride compound that is theoretically predicted to be synthesizable.
About Cl2Cu1Mn1
Cl2Cu1Mn1 is a ternary chloride compound that exhibits semiconducting electronic properties. Its structural configuration suggests a complex arrangement of copper and manganese ions within a chlorine lattice, making it a subject of interest for fundamental solid-state physics research.
As a material positioned near the thermodynamic hull, this compound is considered a likely candidate for successful laboratory synthesis. With multiple reported structural variations, it offers a diverse landscape for researchers investigating the interplay between transition metal cations and halide anions.
Key Properties
Cross-validated computational properties for Cl2Cu1Mn1, aggregated across 2 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 Cl2Cu1Mn1, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 1.14 | 0.0236 | -9.654 | 3.60 |
| P2/m (No. 10) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Cl2Cu1Mn1 is used.
Frequently Asked Questions
Common questions about Cl2Cu1Mn1, answered from cross-validated data.
What is Cl2Cu1Mn1?
Cl2Cu1Mn1 is a semiconducting ternary chloride compound that is theoretically predicted to be synthesizable.
What is Cl2Cu1Mn1 used for?
What is the band gap of Cl2Cu1Mn1?
Is Cl2Cu1Mn1 a metal, semiconductor, or insulator?
Is Cl2Cu1Mn1 thermodynamically stable?
What is the crystal structure of Cl2Cu1Mn1?
What is the density of Cl2Cu1Mn1?
How many polymorphs of Cl2Cu1Mn1 are known?
What elements does Cl2Cu1Mn1 contain?
Where does the data for Cl2Cu1Mn1 come from?
How It Compares
As a unique ternary halide, Cl2Cu1Mn1 serves as a distinct representative of transition metal chloride systems, providing a specific case study for how copper and manganese interactions influence the electronic behavior of the material.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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