Al4Ca4H4O20Si4
Prehnite · Ca2Al(AlSi3O10)(OH)2
Prehnite is a calcium aluminum phyllosilicate mineral that typically forms in veins and cavities within igneous rocks. It is widely recognized for its translucent, pale green appearance and is frequently collected as a gemstone or decorative mineral specimen.
Overview
Key Properties
Cross-validated computational properties for Prehnite, 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.
5.24 eV
Range across DFT structures
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.
0.009 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al4Ca4H4O20Si4, 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 | 5.24 | 0.0086 | -7.454 | 3.32 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.85 |
Uses
Applications
Where Prehnite is used.
Gemstone jewelryMineral specimen collectingOrnamental stone carving
Reference
Frequently Asked Questions
Common questions about Prehnite, answered from cross-validated data.
What is Al4Ca4H4O20Si4?
Prehnite is a calcium aluminum phyllosilicate mineral that typically forms in veins and cavities within igneous rocks. It is widely recognized for its translucent, pale green appearance and is frequently collected as a gemstone or decorative mineral specimen.
What is Al4Ca4H4O20Si4 used for?
Prehnite (Al4Ca4H4O20Si4) is used in gemstone jewelry, mineral specimen collecting, and ornamental stone carving.
What is the band gap of Al4Ca4H4O20Si4?
Prehnite (Al4Ca4H4O20Si4) has a DFT-computed band gap of 5.24 eV across 3 reported structures.
Is Al4Ca4H4O20Si4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.24 eV it is an insulator / wide-band-gap material.
Is Al4Ca4H4O20Si4 thermodynamically stable?
Prehnite (Al4Ca4H4O20Si4) has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
What is the crystal structure of Al4Ca4H4O20Si4?
The lowest-energy reported polymorph of Prehnite (Al4Ca4H4O20Si4) is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of Al4Ca4H4O20Si4?
The computed density of the ground-state structure of Prehnite (Al4Ca4H4O20Si4) is 3.32 g/cm³.
How many polymorphs of Al4Ca4H4O20Si4 are known?
3 structures of Al4Ca4H4O20Si4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Al4Ca4H4O20Si4 contain?
Prehnite (Al4Ca4H4O20Si4) contains Al, Ca, H, O, and Si (5 elements).
Where does the data for Al4Ca4H4O20Si4 come from?
Al4Ca4H4O20Si4 data is cross-referenced from materials_project, aflow, cod.
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Related Compounds
Other Aluminosilicates and Zeolite Frameworks in the database.
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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