Cr4Mg4S8
Cr4Mg4S8 is a thermodynamically stable semiconducting sulfide material with a diverse range of documented structural forms.
About Cr4Mg4S8
Cr4Mg4S8 is a complex sulfide compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural investigation and functional material design.
This compound is notable for its structural diversity, with numerous reported configurations documented in materials databases. Its unique combination of chromium, magnesium, and sulfur positions it as an intriguing subject for researchers exploring the intersection of transition metal chemistry and chalcogenide semiconductors.
Key Properties
Cross-validated computational properties for Cr4Mg4S8, 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 Cr4Mg4S8, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 1.00 | 0.0000 | -6.556 | 3.10 |
| F-43m (No. 216) | cubic | 0.00 | 0.0093 | -6.680 | 3.10 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0198 | -6.669 | 3.13 |
| R3m (No. 160) | trigonal | 0.01 | 0.0212 | -6.668 | 3.09 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0323 | -6.657 | 3.17 |
| R3m (No. 160) | trigonal | 0.00 | 0.0402 | -6.649 | 3.17 |
| P-3m1 (No. 164) | trigonal | 0.62 | 0.0859 | -6.470 | 3.17 |
| C2 (No. 5) | monoclinic | 0.00 | 0.1857 | -6.504 | 2.50 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1862 | -6.503 | 2.52 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.1863 | -6.503 | 2.52 |
| P1 (No. 1) | triclinic | 0.00 | 0.1865 | -6.503 | 2.52 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.2021 | -6.354 | 2.91 |
Applications
Where Cr4Mg4S8 is used.
Frequently Asked Questions
Common questions about Cr4Mg4S8, answered from cross-validated data.
What is Cr4Mg4S8?
Cr4Mg4S8 is a thermodynamically stable semiconducting sulfide material with a diverse range of documented structural forms.
What is Cr4Mg4S8 used for?
What is the band gap of Cr4Mg4S8?
Is Cr4Mg4S8 a metal, semiconductor, or insulator?
Is Cr4Mg4S8 thermodynamically stable?
What is the crystal structure of Cr4Mg4S8?
What is the density of Cr4Mg4S8?
How many polymorphs of Cr4Mg4S8 are known?
What elements does Cr4Mg4S8 contain?
Where does the data for Cr4Mg4S8 come from?
How It Compares
As a distinct sulfide phase, Cr4Mg4S8 represents a specialized stoichiometry within the broader landscape of complex metal sulfides. While it does not share its immediate structural class with other common compounds, its stability and semiconducting behavior highlight its potential as a foundational material for future electronic and optoelectronic applications.
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).
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