Cu2S4SnTl2
Cu2S4SnTl2 has a DFT band gap of 0.22 eV across 3 reported structures in 1 space group; its lowest-energy polymorph is orthorhombic (Ibam (No. 72)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Cu2S4SnTl2, 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.
0.22 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.
0.028 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
2 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Cu2S4SnTl2, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 0.22 | 0.0283 | -4.255 | 6.13 |
| — | — | — | — | — | 6.48 |
| — | — | — | — | — | 6.48 |
Reference
Frequently Asked Questions
Common questions about Cu2S4SnTl2, answered from cross-validated data.
What is the band gap of Cu2S4SnTl2?
Cu2S4SnTl2 has a DFT-computed band gap of 0.22 eV across 3 reported structures.
More questions
Is Cu2S4SnTl2 a metal, semiconductor, or insulator?
With a band gap up to 0.22 eV it is a semiconductor.
Is Cu2S4SnTl2 thermodynamically stable?
Cu2S4SnTl2 has a lowest energy above hull of 0.028 eV/atom (metastable).
What is the crystal structure of Cu2S4SnTl2?
The lowest-energy reported polymorph of Cu2S4SnTl2 is orthorhombic symmetry, space group Ibam (No. 72).
What is the density of Cu2S4SnTl2?
The computed density of the ground-state structure of Cu2S4SnTl2 is 6.13 g/cm³.
How many polymorphs of Cu2S4SnTl2 are known?
3 structures of Cu2S4SnTl2 are reported across 2 databases, spanning 1 distinct space group.
What elements does Cu2S4SnTl2 contain?
Cu2S4SnTl2 contains Cu, S, Sn, and Tl (4 elements).
Where does the data for Cu2S4SnTl2 come from?
Cu2S4SnTl2 data is cross-referenced from materials_project, omat24.
Explore
Related Compounds
Other Chalcogenide Photovoltaic Absorbers in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Cu2S4SnTl2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →