CuAgS
Jalpaite · Silver copper sulfide
Jalpaite is a naturally occurring sulfide mineral composed of copper and silver. It is primarily studied in the context of mineralogy and materials science for its unique structural properties and its role as a component in complex ore deposits.
AgCuS
Overview
Key Properties
Cross-validated computational properties for Jalpaite, 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.
0.26–0.64 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.
0.024 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
4 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CuAgS, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.26 | 0.0236 | -13.574 | 5.92 |
| Pnma (No. 62) | orthorhombic | 0.57 | 0.0237 | -13.574 | 6.13 |
| Cmc21 (No. 36) | orthorhombic | 0.64 | 0.0306 | -13.567 | 6.09 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.1021 | -13.495 | 6.88 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.09 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.15 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.92 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.33 |
| No. 0 | unknown | — | — | — | 3.20 |
| No. 0 | unknown | — | — | — | 1.58 |
| Cmcm (No. 63) | — | — | — | — | — |
Uses
Applications
Where Jalpaite is used.
Geological researchMaterials science studiesMineralogical collections
Reference
Frequently Asked Questions
Common questions about Jalpaite, answered from cross-validated data.
What is CuAgS?
Jalpaite is a naturally occurring sulfide mineral composed of copper and silver. It is primarily studied in the context of mineralogy and materials science for its unique structural properties and its role as a component in complex ore deposits.
More questions
What is CuAgS used for?
Jalpaite (CuAgS) is used in geological research, materials science studies, and mineralogical collections.
What is the band gap of CuAgS?
Jalpaite (CuAgS) has a DFT-computed band gap of 0.26–0.64 eV across 23 reported structures.
Is CuAgS a metal, semiconductor, or insulator?
With a band gap up to 0.64 eV it is a semiconductor.
Is CuAgS thermodynamically stable?
Jalpaite (CuAgS) has a lowest energy above hull of 0.024 eV/atom (near hull (likely stable)).
What is the crystal structure of CuAgS?
The lowest-energy reported polymorph of Jalpaite (CuAgS) is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of CuAgS?
The computed density of the ground-state structure of Jalpaite (CuAgS) is 5.92 g/cm³.
How many polymorphs of CuAgS are known?
23 structures of CuAgS are reported across 4 databases, spanning 5 distinct space groups.
What elements does CuAgS contain?
Jalpaite (CuAgS) contains Ag, Cu, and S (3 elements).
Where does the data for CuAgS come from?
CuAgS data is cross-referenced from materials_project, mpaloe, jarvis, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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