As1B2P1
This compound is a ternary semiconductor material composed of arsenic, boron, and phosphorus. It is primarily studied for its potential electronic and optoelectronic properties in specialized material science research.
AsBP
Overview
Key Properties
Cross-validated computational properties for As1B2P1, aggregated across 2 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.
1.06 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.
0.068 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
2 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for As1B2P1, 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. |
|---|---|---|---|---|---|
| P-4m2 (No. 115) | tetragonal | 1.06 | 0.0679 | -9.840 | 4.13 |
| I-4m2 (No. 119) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P-4m2 (No. 115) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where As1B2P1 is used.
Semiconductor researchMaterials science development
Reference
Frequently Asked Questions
Common questions about As1B2P1, answered from cross-validated data.
What is As1B2P1?
This compound is a ternary semiconductor material composed of arsenic, boron, and phosphorus. It is primarily studied for its potential electronic and optoelectronic properties in specialized material science research.
More questions
What is As1B2P1 used for?
As1B2P1 is used in semiconductor research and materials science development.
What is the band gap of As1B2P1?
As1B2P1 has a DFT-computed band gap of 1.06 eV across 27 reported structures.
Is As1B2P1 a metal, semiconductor, or insulator?
With a band gap up to 1.06 eV it is a semiconductor.
Is As1B2P1 thermodynamically stable?
As1B2P1 has a lowest energy above hull of 0.068 eV/atom (metastable).
What is the crystal structure of As1B2P1?
The lowest-energy reported polymorph of As1B2P1 is tetragonal symmetry, space group P-4m2 (No. 115).
What is the density of As1B2P1?
The computed density of the ground-state structure of As1B2P1 is 4.13 g/cm³.
How many polymorphs of As1B2P1 are known?
27 structures of As1B2P1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does As1B2P1 contain?
As1B2P1 contains As, B, and P (3 elements).
Where does the data for As1B2P1 come from?
As1B2P1 data is cross-referenced from materials_project, aflow.
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).
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