ScClO4
ScClO4 is a stable, wide-band-gap insulating compound that serves as a significant subject for materials research.
About ScClO4
ScClO4 is a distinct inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a reliable subject for structural investigation and materials research.
With multiple reported structures across major databases, this compound represents a well-documented entry in its chemical space. Its stable nature and insulating properties suggest it may serve as a foundational building block for specialized dielectric or ionic applications.
Key Properties
Cross-validated computational properties for ScClO4, 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 ScClO4, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 4.08 | 0.0000 | -5.347 | 2.99 |
| P63/m (No. 176) | hexagonal | 3.17 | 0.0353 | -5.311 | 3.20 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.02 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.15 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.32 |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where ScClO4 is used.
Frequently Asked Questions
Common questions about ScClO4, answered from cross-validated data.
What is ScClO4?
ScClO4 is a stable, wide-band-gap insulating compound that serves as a significant subject for materials research.
What is ScClO4 used for?
What is the band gap of ScClO4?
Is ScClO4 a metal, semiconductor, or insulator?
Is ScClO4 thermodynamically stable?
What is the crystal structure of ScClO4?
What is the density of ScClO4?
How many polymorphs of ScClO4 are known?
What elements does ScClO4 contain?
Where does the data for ScClO4 come from?
How It Compares
As a unique entry in its chemical class, ScClO4 serves as a benchmark for stability and structural complexity. Without direct siblings for comparison, it stands as a primary example of how scandium-based oxychlorides can achieve thermodynamic favorability while maintaining insulating characteristics.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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