Al1Be1Cl1Na4O12Si4
Sodalite · Hackmanite
Sodalite is a tectosilicate mineral known for its rich blue color and distinctive crystal structure. It is frequently used as an ornamental stone in jewelry and decorative carvings due to its aesthetic appeal.
AlBeClNaOSi
Overview
Key Properties
Cross-validated computational properties for Sodalite, aggregated across 2 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.
4.28–4.63 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
2 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al1Be1Cl1Na4O12Si4, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 4.63 | 0.0000 | -7.168 | 2.27 |
| Cc (No. 9) | monoclinic | 4.28 | 0.0463 | -7.121 | 2.20 |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
| I-4 (No. 82) | — | — | — | — | — |
Uses
Applications
Where Sodalite is used.
JewelryOrnamental stoneDecorative carvingsArchitectural accents
Reference
Frequently Asked Questions
Common questions about Sodalite, answered from cross-validated data.
What is Al1Be1Cl1Na4O12Si4?
Sodalite is a tectosilicate mineral known for its rich blue color and distinctive crystal structure. It is frequently used as an ornamental stone in jewelry and decorative carvings due to its aesthetic appeal.
More questions
What is Al1Be1Cl1Na4O12Si4 used for?
Sodalite (Al1Be1Cl1Na4O12Si4) is used in jewelry, ornamental stone, decorative carvings, and architectural accents.
What is the band gap of Al1Be1Cl1Na4O12Si4?
Sodalite (Al1Be1Cl1Na4O12Si4) has a DFT-computed band gap of 4.28–4.63 eV across 17 reported structures.
Is Al1Be1Cl1Na4O12Si4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.63 eV it is an insulator / wide-band-gap material.
Is Al1Be1Cl1Na4O12Si4 thermodynamically stable?
Yes — Sodalite (Al1Be1Cl1Na4O12Si4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al1Be1Cl1Na4O12Si4?
The lowest-energy reported polymorph of Sodalite (Al1Be1Cl1Na4O12Si4) is tetragonal symmetry, space group I-4 (No. 82).
What is the density of Al1Be1Cl1Na4O12Si4?
The computed density of the ground-state structure of Sodalite (Al1Be1Cl1Na4O12Si4) is 2.27 g/cm³.
How many polymorphs of Al1Be1Cl1Na4O12Si4 are known?
17 structures of Al1Be1Cl1Na4O12Si4 are reported across 2 databases, spanning 2 distinct space groups.
What elements does Al1Be1Cl1Na4O12Si4 contain?
Sodalite (Al1Be1Cl1Na4O12Si4) contains Al, Be, Cl, Na, O, and Si (6 elements).
Where does the data for Al1Be1Cl1Na4O12Si4 come from?
Al1Be1Cl1Na4O12Si4 data is cross-referenced from materials_project, aflow.
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).
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