Ag6Te6
Ag6Te6 has a DFT band gap of 0.24 eV across 9 reported structures in 4 space groups; its lowest-energy polymorph is orthorhombic (Pnma (No. 62)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ag6Te6, 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.
0.24 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.
0.001 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag6Te6, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.24 | 0.0006 | -23.457 | 7.28 |
| No. 0 | unknown | — | — | — | 1.42 |
| No. 0 | unknown | — | — | — | 2.58 |
| No. 0 | unknown | — | — | — | 2.36 |
| — | — | — | — | — | 5.98 |
| P-3m1 (No. 164) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.15 |
| — | — | — | — | — | 7.06 |
Reference
Frequently Asked Questions
Common questions about Ag6Te6, answered from cross-validated data.
What is the band gap of Ag6Te6?
Ag6Te6 has a DFT-computed band gap of 0.24 eV across 9 reported structures.
More questions
Is Ag6Te6 a metal, semiconductor, or insulator?
With a band gap up to 0.24 eV it is a semiconductor.
Is Ag6Te6 thermodynamically stable?
Yes — Ag6Te6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ag6Te6?
The lowest-energy reported polymorph of Ag6Te6 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Ag6Te6?
The computed density of the ground-state structure of Ag6Te6 is 7.28 g/cm³.
How many polymorphs of Ag6Te6 are known?
9 structures of Ag6Te6 are reported across 4 databases, spanning 4 distinct space groups.
What elements does Ag6Te6 contain?
Ag6Te6 contains Ag and Te (2 elements).
Where does the data for Ag6Te6 come from?
Ag6Te6 data is cross-referenced from materials_project, cod, omat24, aflow.
Explore
Related Compounds
Other Phase-Change Memory Materials in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Ag6Te6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →