As4Ca4Co4H4O20
As4Ca4Co4H4O20 is a metastable, semiconducting inorganic compound composed of arsenic, calcium, cobalt, hydrogen, and oxygen.
About As4Ca4Co4H4O20
As4Ca4Co4H4O20 is a complex inorganic compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a specific structural arrangement within its chemical system that requires precise conditions for synthesis and characterization.
Its significance lies in its intricate composition of arsenic, calcium, cobalt, hydrogen, and oxygen, which offers a unique platform for studying electronic behavior in multi-element frameworks. This compound serves as a subject of interest for researchers investigating the stability and potential functionality of complex oxy-hydride structures.
Key Properties
Cross-validated computational properties for As4Ca4Co4H4O20, 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 As4Ca4Co4H4O20, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 1.93 | 0.0558 | -6.652 | 4.09 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.06 |
Frequently Asked Questions
Common questions about As4Ca4Co4H4O20, answered from cross-validated data.
What is As4Ca4Co4H4O20?
As4Ca4Co4H4O20 is a metastable, semiconducting inorganic compound composed of arsenic, calcium, cobalt, hydrogen, and oxygen.
What is the band gap of As4Ca4Co4H4O20?
Is As4Ca4Co4H4O20 a metal, semiconductor, or insulator?
Is As4Ca4Co4H4O20 thermodynamically stable?
What is the crystal structure of As4Ca4Co4H4O20?
What is the density of As4Ca4Co4H4O20?
How many polymorphs of As4Ca4Co4H4O20 are known?
What elements does As4Ca4Co4H4O20 contain?
Where does the data for As4Ca4Co4H4O20 come from?
How It Compares
As an unclassified compound, As4Ca4Co4H4O20 occupies a distinct position in the materials landscape, serving as a rare example of a multi-component system that warrants further exploration to determine its broader utility compared to more conventional inorganic semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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