As4Ca4Cu4H4O20
As4Ca4Cu4H4O20 is a complex, semiconducting arsenate-cuprate compound that is considered a promising candidate for synthesis due to its near-hull thermodynamic stability.
About As4Ca4Cu4H4O20
As4Ca4Cu4H4O20 is a complex arsenate-cuprate compound featuring a multi-element framework. Its electronic character is identified as semiconducting, distinguishing it from the metallic behavior often associated with high-temperature superconductors in this class. The material exhibits near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis and structural characterization. As a member of the broader cuprate family, it serves as an intriguing subject for investigating how arsenic and hydrogen integration modifies the traditional copper-oxygen plane structures. Its existence in multiple reported structural configurations highlights its potential for structural diversity within oxide chemistry.
Key Properties
Cross-validated computational properties for As4Ca4Cu4H4O20, 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 As4Ca4Cu4H4O20, 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 | 0.29 | 0.0147 | -6.268 | 4.15 |
| No. 0 | unknown | — | — | — | 1.09 |
| P212121 (No. 19) | — | — | — | — | — |
Applications
Where As4Ca4Cu4H4O20 is used.
Frequently Asked Questions
Common questions about As4Ca4Cu4H4O20, answered from cross-validated data.
What is As4Ca4Cu4H4O20?
As4Ca4Cu4H4O20 is a complex, semiconducting arsenate-cuprate compound that is considered a promising candidate for synthesis due to its near-hull thermodynamic stability.
What is As4Ca4Cu4H4O20 used for?
What is the band gap of As4Ca4Cu4H4O20?
Is As4Ca4Cu4H4O20 a metal, semiconductor, or insulator?
Is As4Ca4Cu4H4O20 thermodynamically stable?
What is the crystal structure of As4Ca4Cu4H4O20?
What is the density of As4Ca4Cu4H4O20?
How many polymorphs of As4Ca4Cu4H4O20 are known?
What elements does As4Ca4Cu4H4O20 contain?
Where does the data for As4Ca4Cu4H4O20 come from?
How It Compares
Within the cuprate superconductors class.
Unlike the well-known high-temperature superconducting cuprates such as La2CuO4 or CaCuO2, which are characterized by distinct copper-oxygen sheets, As4Ca4Cu4H4O20 incorporates arsenic and hydrogen into its lattice. This structural modification shifts its electronic properties away from the metallic behavior seen in typical superconducting cuprates, placing it in a unique position as a semiconducting variant within the broader family of copper-based oxides.
Related Compounds
Other Cuprate Superconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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