As3Cr6H3K6O30
This complex inorganic compound is a polyoxometalate derivative containing chromium, arsenic, and potassium. It is primarily utilized in specialized chemical research, particularly in the study of structural chemistry and the synthesis of metal-oxide frameworks.
Key Properties
Cross-validated computational properties for As3Cr6H3K6O30, 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 As3Cr6H3K6O30, 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. |
|---|---|---|---|---|---|
| P32 (No. 145) | trigonal | 2.67 | 0.0089 | -6.735 | 2.65 |
| P31 (No. 144) | trigonal | 2.69 | 0.0089 | -6.735 | 2.82 |
| P3221 (No. 154) | trigonal | 2.69 | 0.0146 | -6.729 | 2.59 |
| P3221 (No. 154) | — | — | — | — | — |
| P31 (No. 144) | — | — | — | — | — |
| P31 (No. 144) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.93 |
| No. 0 | unknown | — | — | — | 0.93 |
Applications
Where As3Cr6H3K6O30 is used.
Frequently Asked Questions
Common questions about As3Cr6H3K6O30, answered from cross-validated data.
What is As3Cr6H3K6O30?
This complex inorganic compound is a polyoxometalate derivative containing chromium, arsenic, and potassium. It is primarily utilized in specialized chemical research, particularly in the study of structural chemistry and the synthesis of metal-oxide frameworks.
What is As3Cr6H3K6O30 used for?
What is the band gap of As3Cr6H3K6O30?
Is As3Cr6H3K6O30 a metal, semiconductor, or insulator?
Is As3Cr6H3K6O30 thermodynamically stable?
What is the crystal structure of As3Cr6H3K6O30?
What is the density of As3Cr6H3K6O30?
How many polymorphs of As3Cr6H3K6O30 are known?
What elements does As3Cr6H3K6O30 contain?
Where does the data for As3Cr6H3K6O30 come from?
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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