CsSrCl3
CsSrCl3 is a stable, wide-band-gap insulating chloride compound known for its significant structural diversity.
About CsSrCl3
CsSrCl3 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating robust structural integrity. As a wide-band-gap insulator, it possesses electronic properties characteristic of materials that do not readily conduct electricity under standard conditions.
This compound is notable for its structural diversity, with numerous reported configurations across scientific databases. Its stability and insulating nature make it a subject of interest for researchers investigating halide-based materials and their potential applications in optical or electronic technologies.
Key Properties
Cross-validated computational properties for CsSrCl3, 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 CsSrCl3, 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 | 5.31 | 0.0000 | -14.283 | 3.05 |
| P4/mbm (No. 127) | tetragonal | 5.00 | 0.0030 | -14.280 | 3.05 |
| R3c (No. 161) | trigonal | 5.29 | 0.0043 | -14.279 | 3.02 |
| Pm-3m (No. 221) | cubic | 4.97 | 0.0150 | -14.268 | 2.97 |
| Cm (No. 8) | monoclinic | 5.00 | 0.0152 | -14.268 | 2.97 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.03 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.89 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.05 |
| R3c (No. 161) | Trigonal | — | — | — | 3.00 |
| P4/mbm (No. 127) | Tetragonal | — | — | — | 2.96 |
| R3c (No. 161) | Trigonal | — | — | — | 3.02 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.96 |
Applications
Where CsSrCl3 is used.
Frequently Asked Questions
Common questions about CsSrCl3, answered from cross-validated data.
What is CsSrCl3?
CsSrCl3 is a stable, wide-band-gap insulating chloride compound known for its significant structural diversity.
What is CsSrCl3 used for?
What is the band gap of CsSrCl3?
Is CsSrCl3 a metal, semiconductor, or insulator?
Is CsSrCl3 thermodynamically stable?
What is the crystal structure of CsSrCl3?
What is the density of CsSrCl3?
How many polymorphs of CsSrCl3 are known?
What elements does CsSrCl3 contain?
Where does the data for CsSrCl3 come from?
How It Compares
As a distinct halide-based compound, CsSrCl3 occupies a unique position within its structural family, serving as a stable representative of complex chloride lattices that offer a foundation for further material design and experimentation.
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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