AgP2
Silver diphosphide is a binary inorganic compound consisting of silver and phosphorus. It is primarily studied in the field of materials science for its potential semiconducting properties and its role as a precursor in the synthesis of specialized electronic materials.
AgP
Overview
Key Properties
Cross-validated computational properties for AgP2, aggregated across 5 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.
0.66 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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
48
5 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AgP2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.66 | 0.0009 | -13.158 | 4.98 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.35 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.74 |
| P21/c (No. 14) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.41 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.12 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.50 |
| P1 (No. 1) | Triclinic | — | — | — | 4.63 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.54 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.70 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.21 |
Uses
Applications
Where AgP2 is used.
Semiconductor researchMaterials science experimentationPrecursor for chemical synthesis
Reference
Frequently Asked Questions
Common questions about AgP2, answered from cross-validated data.
What is AgP2?
Silver diphosphide is a binary inorganic compound consisting of silver and phosphorus. It is primarily studied in the field of materials science for its potential semiconducting properties and its role as a precursor in the synthesis of specialized electronic materials.
More questions
What is AgP2 used for?
AgP2 is used in semiconductor research, materials science experimentation, and precursor for chemical synthesis.
What is the band gap of AgP2?
AgP2 has a DFT-computed band gap of 0.66 eV across 48 reported structures.
Is AgP2 a metal, semiconductor, or insulator?
With a band gap up to 0.66 eV it is a semiconductor.
Is AgP2 thermodynamically stable?
Yes — AgP2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AgP2?
The lowest-energy reported polymorph of AgP2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of AgP2?
The computed density of the ground-state structure of AgP2 is 4.98 g/cm³.
How many polymorphs of AgP2 are known?
48 structures of AgP2 are reported across 5 databases, spanning 12 distinct space groups.
What elements does AgP2 contain?
AgP2 contains Ag and P (2 elements).
Where does the data for AgP2 come from?
AgP2 data is cross-referenced from materials_project, mpaloe, jarvis, nomad, omat24.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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