Ag3AuS2
Petzite · Silver gold sulfide
Petzite is a rare telluride-related sulfide mineral that contains both silver and gold. It is primarily found in hydrothermal ore deposits and serves as a minor source of precious metals in geological contexts.
AgAuS
Overview
Key Properties
Cross-validated computational properties for Petzite, 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.
0.18–1.56 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.
0.026 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag3AuS2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.56 | 0.0256 | -21.882 | 6.38 |
| P4132 (No. 213) | cubic | 0.18 | 0.0257 | -21.882 | 8.07 |
| P1 (No. 1) | triclinic | 0.39 | 0.0416 | -21.866 | 7.32 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.07 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.39 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.32 |
| P1 (No. 1) | Triclinic | — | — | — | 7.32 |
| P1 (No. 1) | Triclinic | — | — | — | 7.67 |
| P1 (No. 1) | Triclinic | — | — | — | 7.53 |
| R-3m (No. 166) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
Uses
Applications
Where Petzite is used.
Geological researchMineral specimen collectingSource of precious metals
Reference
Frequently Asked Questions
Common questions about Petzite, answered from cross-validated data.
What is Ag3AuS2?
Petzite is a rare telluride-related sulfide mineral that contains both silver and gold. It is primarily found in hydrothermal ore deposits and serves as a minor source of precious metals in geological contexts.
More questions
What is Ag3AuS2 used for?
Petzite (Ag3AuS2) is used in geological research, mineral specimen collecting, and source of precious metals.
What is the band gap of Ag3AuS2?
Petzite (Ag3AuS2) has a DFT-computed band gap of 0.18–1.56 eV across 11 reported structures.
Is Ag3AuS2 a metal, semiconductor, or insulator?
With a band gap up to 1.56 eV it is a semiconductor.
Is Ag3AuS2 thermodynamically stable?
Petzite (Ag3AuS2) has a lowest energy above hull of 0.026 eV/atom (metastable).
What is the crystal structure of Ag3AuS2?
The lowest-energy reported polymorph of Petzite (Ag3AuS2) is trigonal symmetry, space group R-3m (No. 166).
What is the density of Ag3AuS2?
The computed density of the ground-state structure of Petzite (Ag3AuS2) is 6.38 g/cm³.
How many polymorphs of Ag3AuS2 are known?
11 structures of Ag3AuS2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ag3AuS2 contain?
Petzite (Ag3AuS2) contains Ag, Au, and S (3 elements).
Where does the data for Ag3AuS2 come from?
Ag3AuS2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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