Ag10O8P2Se2
This complex inorganic compound is a silver-based chalcogenide phosphate material. It is primarily utilized in specialized materials science research to study ionic conductivity and structural properties in solid-state chemistry.
AgOPSe
Overview
Key Properties
Cross-validated computational properties for Ag10O8P2Se2, 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.
0.31 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ag10O8P2Se2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.31 | 0.0000 | -5.038 | 6.59 |
| P4/nmm (No. 129) | — | — | — | — | — |
| — | — | — | — | — | 5.18 |
Uses
Applications
Where Ag10O8P2Se2 is used.
Solid-state electrolyte researchMaterials science characterizationIonic conductor development
Reference
Frequently Asked Questions
Common questions about Ag10O8P2Se2, answered from cross-validated data.
What is Ag10O8P2Se2?
This complex inorganic compound is a silver-based chalcogenide phosphate material. It is primarily utilized in specialized materials science research to study ionic conductivity and structural properties in solid-state chemistry.
More questions
What is Ag10O8P2Se2 used for?
Ag10O8P2Se2 is used in solid-state electrolyte research, materials science characterization, and ionic conductor development.
What is the band gap of Ag10O8P2Se2?
Ag10O8P2Se2 has a DFT-computed band gap of 0.31 eV across 3 reported structures.
Is Ag10O8P2Se2 a metal, semiconductor, or insulator?
With a band gap up to 0.31 eV it is a semiconductor.
Is Ag10O8P2Se2 thermodynamically stable?
Yes — Ag10O8P2Se2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ag10O8P2Se2?
The lowest-energy reported polymorph of Ag10O8P2Se2 is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of Ag10O8P2Se2?
The computed density of the ground-state structure of Ag10O8P2Se2 is 6.59 g/cm³.
How many polymorphs of Ag10O8P2Se2 are known?
3 structures of Ag10O8P2Se2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ag10O8P2Se2 contain?
Ag10O8P2Se2 contains Ag, O, P, and Se (4 elements).
Where does the data for Ag10O8P2Se2 come from?
Ag10O8P2Se2 data is cross-referenced from materials_project, aflow, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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