As4H8Li4O20Zn4
As4H8Li4O20Zn4 is an insulating, potentially synthesizable inorganic compound composed of arsenic, hydrogen, lithium, oxygen, and zinc.
About As4H8Li4O20Zn4
As4H8Li4O20Zn4 is a complex inorganic compound characterized by a wide-gap insulating electronic structure. Its composition, involving arsenic, hydrogen, lithium, oxygen, and zinc, suggests a sophisticated structural framework that warrants further investigation for specialized chemical applications.
As a near-hull material, it is considered likely synthesizable under appropriate laboratory conditions. This stability profile makes it a compelling candidate for researchers exploring new solid-state architectures that require insulating properties and specific elemental combinations.
Key Properties
Cross-validated computational properties for As4H8Li4O20Zn4, 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 As4H8Li4O20Zn4, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 3.29 | 0.0219 | -5.698 | 3.11 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.82 |
| Pna21 (No. 33) | — | — | — | — | — |
Applications
Where As4H8Li4O20Zn4 is used.
Frequently Asked Questions
Common questions about As4H8Li4O20Zn4, answered from cross-validated data.
What is As4H8Li4O20Zn4?
As4H8Li4O20Zn4 is an insulating, potentially synthesizable inorganic compound composed of arsenic, hydrogen, lithium, oxygen, and zinc.
What is As4H8Li4O20Zn4 used for?
What is the band gap of As4H8Li4O20Zn4?
Is As4H8Li4O20Zn4 a metal, semiconductor, or insulator?
Is As4H8Li4O20Zn4 thermodynamically stable?
What is the crystal structure of As4H8Li4O20Zn4?
What is the density of As4H8Li4O20Zn4?
How many polymorphs of As4H8Li4O20Zn4 are known?
What elements does As4H8Li4O20Zn4 contain?
Where does the data for As4H8Li4O20Zn4 come from?
How It Compares
As a unique inorganic compound with no direct siblings provided in this class, As4H8Li4O20Zn4 serves as an exploratory entry point for understanding the interplay between its constituent elements. Its status as a near-hull material positions it as a viable target for experimental synthesis compared to more unstable theoretical phases.
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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