Ge12S36Ti12
Ge12S36Ti12 is a thermodynamically stable, semiconducting ternary compound consisting of germanium, sulfur, and titanium.
About Ge12S36Ti12
Ge12S36Ti12 is a complex ternary compound composed of germanium, sulfur, and titanium. It exhibits semiconducting electronic properties and maintains a robust state of thermodynamic stability, placing it on the convex hull of its constituent elements.
This material is of significant interest in solid-state chemistry due to its structural complexity. Its stable configuration suggests potential utility in advanced electronic or optoelectronic applications where specific semiconducting behaviors are required.
Key Properties
Cross-validated computational properties for Ge12S36Ti12, 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 Ge12S36Ti12, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.32 | 0.0000 | -6.167 | 3.31 |
| — | — | — | — | — | 3.59 |
| No. 0 | unknown | — | — | — | 0.88 |
Applications
Where Ge12S36Ti12 is used.
Frequently Asked Questions
Common questions about Ge12S36Ti12, answered from cross-validated data.
What is Ge12S36Ti12?
Ge12S36Ti12 is a thermodynamically stable, semiconducting ternary compound consisting of germanium, sulfur, and titanium.
What is Ge12S36Ti12 used for?
What is the band gap of Ge12S36Ti12?
Is Ge12S36Ti12 a metal, semiconductor, or insulator?
Is Ge12S36Ti12 thermodynamically stable?
What is the crystal structure of Ge12S36Ti12?
What is the density of Ge12S36Ti12?
How many polymorphs of Ge12S36Ti12 are known?
What elements does Ge12S36Ti12 contain?
Where does the data for Ge12S36Ti12 come from?
How It Compares
As a unique ternary phase, Ge12S36Ti12 serves as a distinct example of how germanium, sulfur, and titanium can organize into stable, complex architectures. It represents a specialized structural motif within the broader landscape of chalcogenide-based semiconductors.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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