As4Ca4H4O20Zn4
As4Ca4H4O20Zn4 is a thermodynamically stable, semiconducting inorganic compound with a well-documented structural history.
About As4Ca4H4O20Zn4
As4Ca4H4O20Zn4 is a complex inorganic compound characterized by its semiconducting electronic nature. Its presence on the thermodynamic convex hull indicates high stability, making it a robust candidate for structural and functional investigations in materials science research. The material exhibits a well-documented structural profile, supported by multiple entries across major crystallographic databases. This richness in data underscores its significance as a subject for computational and experimental study, particularly for researchers interested in complex oxides and arsenates. Its unique arrangement of calcium, zinc, and arsenic units suggests potential for specialized applications where stable, semiconducting behavior is required.
Key Properties
Cross-validated computational properties for As4Ca4H4O20Zn4, aggregated across 4 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 As4Ca4H4O20Zn4, 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 | 2.64 | 0.0000 | -6.168 | 4.32 |
| No. 0 | unknown | — | — | — | 1.08 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.08 |
| P212121 (No. 19) | — | — | — | — | — |
| P212121 (No. 19) | — | — | — | — | — |
Applications
Where As4Ca4H4O20Zn4 is used.
Frequently Asked Questions
Common questions about As4Ca4H4O20Zn4, answered from cross-validated data.
What is As4Ca4H4O20Zn4?
As4Ca4H4O20Zn4 is a thermodynamically stable, semiconducting inorganic compound with a well-documented structural history.
What is As4Ca4H4O20Zn4 used for?
What is the band gap of As4Ca4H4O20Zn4?
Is As4Ca4H4O20Zn4 a metal, semiconductor, or insulator?
Is As4Ca4H4O20Zn4 thermodynamically stable?
What is the crystal structure of As4Ca4H4O20Zn4?
What is the density of As4Ca4H4O20Zn4?
How many polymorphs of As4Ca4H4O20Zn4 are known?
What elements does As4Ca4H4O20Zn4 contain?
Where does the data for As4Ca4H4O20Zn4 come from?
How It Compares
As a thermodynamically stable semiconducting compound, this material represents a distinct entry in the landscape of complex quaternary and quinary oxides. While it does not share its specific structural class with other common materials in this database, its stability profile positions it as a reliable reference point for future studies into similar multi-element frameworks.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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