Be1Ge1P2
Beryllium germanium phosphide is a semiconductor material belonging to the chalcopyrite family. It is primarily investigated for its potential utility in optoelectronic devices and nonlinear optical applications.
BeGeP
Overview
Key Properties
Cross-validated computational properties for Be1Ge1P2, 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.
0.90 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
2 databases, 19 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Be1Ge1P2, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 0.90 | 0.0000 | -5.066 | 3.41 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Uses
Applications
Where Be1Ge1P2 is used.
OptoelectronicsNonlinear opticsSemiconductor research
Reference
Frequently Asked Questions
Common questions about Be1Ge1P2, answered from cross-validated data.
What is Be1Ge1P2?
Beryllium germanium phosphide is a semiconductor material belonging to the chalcopyrite family. It is primarily investigated for its potential utility in optoelectronic devices and nonlinear optical applications.
More questions
What is Be1Ge1P2 used for?
Be1Ge1P2 is used in optoelectronics, nonlinear optics, and semiconductor research.
What is the band gap of Be1Ge1P2?
Be1Ge1P2 has a DFT-computed band gap of 0.90 eV across 27 reported structures.
Is Be1Ge1P2 a metal, semiconductor, or insulator?
With a band gap up to 0.90 eV it is a semiconductor.
Is Be1Ge1P2 thermodynamically stable?
Yes — Be1Ge1P2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Be1Ge1P2?
The lowest-energy reported polymorph of Be1Ge1P2 is tetragonal symmetry, space group I-42d (No. 122).
What is the density of Be1Ge1P2?
The computed density of the ground-state structure of Be1Ge1P2 is 3.41 g/cm³.
How many polymorphs of Be1Ge1P2 are known?
27 structures of Be1Ge1P2 are reported across 2 databases, spanning 19 distinct space groups.
What elements does Be1Ge1P2 contain?
Be1Ge1P2 contains Be, Ge, and P (3 elements).
Where does the data for Be1Ge1P2 come from?
Be1Ge1P2 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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