As2O10Sc2
This compound is a complex inorganic oxide containing scandium and arsenic. It is primarily utilized in specialized materials research, particularly in the study of crystal structures and solid-state chemistry.
AsOSc
Overview
Key Properties
Cross-validated computational properties for As2O10Sc2, 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.
0.43 eV
Range across DFT structures
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.
0.263 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for As2O10Sc2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.43 | 0.2635 | -7.144 | 3.14 |
| — | — | — | — | — | 3.30 |
| No. 0 | unknown | — | — | — | 1.65 |
Uses
Applications
Where As2O10Sc2 is used.
Materials science researchSolid-state chemistry studiesCrystallographic analysis
Reference
Frequently Asked Questions
Common questions about As2O10Sc2, answered from cross-validated data.
What is As2O10Sc2?
This compound is a complex inorganic oxide containing scandium and arsenic. It is primarily utilized in specialized materials research, particularly in the study of crystal structures and solid-state chemistry.
More questions
What is As2O10Sc2 used for?
As2O10Sc2 is used in materials science research, solid-state chemistry studies, and crystallographic analysis.
What is the band gap of As2O10Sc2?
As2O10Sc2 has a DFT-computed band gap of 0.43 eV across 3 reported structures.
Is As2O10Sc2 a metal, semiconductor, or insulator?
With a band gap up to 0.43 eV it is a semiconductor.
Is As2O10Sc2 thermodynamically stable?
As2O10Sc2 has a lowest energy above hull of 0.263 eV/atom (above hull).
What is the crystal structure of As2O10Sc2?
The lowest-energy reported polymorph of As2O10Sc2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of As2O10Sc2?
The computed density of the ground-state structure of As2O10Sc2 is 3.14 g/cm³.
How many polymorphs of As2O10Sc2 are known?
3 structures of As2O10Sc2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does As2O10Sc2 contain?
As2O10Sc2 contains As, O, and Sc (3 elements).
Where does the data for As2O10Sc2 come from?
As2O10Sc2 data is cross-referenced from materials_project, omat24, cod.
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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