TiCrCuS4
TiCrCuS4 is a thermodynamically stable quaternary sulfide semiconductor with a well-documented structural profile.
About TiCrCuS4
TiCrCuS4 is a quaternary sulfide compound characterized by its stable semiconducting nature. As a material situated on the thermodynamic convex hull, it represents a robust structural configuration that has attracted significant research interest, evidenced by its high structural data density across multiple databases.
This material serves as a compelling subject for studies into complex sulfide systems. Its electronic character suggests potential utility in optoelectronic or energy-related devices where stable, semiconducting quaternary frameworks are required for performance and longevity.
Key Properties
Cross-validated computational properties for TiCrCuS4, 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 TiCrCuS4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.00 | 0.0000 | -6.643 | 3.93 |
| I212121 (No. 24) | orthorhombic | 0.00 | 0.0006 | -6.642 | 3.91 |
| Ima2 (No. 46) | orthorhombic | 0.00 | 0.0007 | -6.642 | 3.92 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0526 | -6.591 | 4.04 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0625 | -6.581 | 4.13 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0648 | -6.578 | 4.05 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0649 | -6.578 | 4.11 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0698 | -6.573 | 4.06 |
| P2 (No. 3) | monoclinic | 0.03 | 0.0725 | -6.571 | 4.07 |
| P1 (No. 1) | triclinic | 0.00 | 0.0830 | -6.560 | 3.86 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.0994 | -6.544 | 4.31 |
| Pmmn (No. 59) | orthorhombic | 0.10 | 0.1453 | -6.498 | 3.92 |
Applications
Where TiCrCuS4 is used.
Frequently Asked Questions
Common questions about TiCrCuS4, answered from cross-validated data.
What is TiCrCuS4?
TiCrCuS4 is a thermodynamically stable quaternary sulfide semiconductor with a well-documented structural profile.
What is TiCrCuS4 used for?
What is the band gap of TiCrCuS4?
Is TiCrCuS4 a metal, semiconductor, or insulator?
Is TiCrCuS4 thermodynamically stable?
What is the crystal structure of TiCrCuS4?
What is the density of TiCrCuS4?
How many polymorphs of TiCrCuS4 are known?
What elements does TiCrCuS4 contain?
Where does the data for TiCrCuS4 come from?
How It Compares
As a distinct quaternary sulfide, TiCrCuS4 occupies a unique position within the broader landscape of complex chalcogenides. It stands out for its thermodynamic stability, which provides a reliable foundation for exploring the interplay between its constituent transition metals and sulfur in a semiconducting framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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