HfP
Hafnium phosphide is a binary inorganic compound composed of hafnium and phosphorus. It is primarily studied as a semiconductor material and is investigated for its potential utility in advanced electronic and optoelectronic devices.
HfP
Overview
Key Properties
Cross-validated computational properties for HfP, 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.
Metallic / not reported
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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
233
4 databases, 32 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HfP, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -28.508 | 9.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.20 |
| P1 (No. 1) | Triclinic | — | — | — | 9.08 |
| P32 (No. 145) | Trigonal | — | — | — | 6.55 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.76 |
| P1 (No. 1) | Triclinic | — | — | — | 9.49 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.25 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.15 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.46 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.22 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.87 |
Uses
Applications
Where HfP is used.
Semiconductor researchElectronic component developmentOptoelectronic device fabrication
Reference
Frequently Asked Questions
Common questions about HfP, answered from cross-validated data.
What is HfP?
Hafnium phosphide is a binary inorganic compound composed of hafnium and phosphorus. It is primarily studied as a semiconductor material and is investigated for its potential utility in advanced electronic and optoelectronic devices.
More questions
What is HfP used for?
HfP is used in semiconductor research, electronic component development, and optoelectronic device fabrication.
What is the band gap of HfP?
HfP is computed to be metallic (no band gap) in the reported DFT structures.
Is HfP a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HfP thermodynamically stable?
Yes — HfP sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of HfP?
The lowest-energy reported polymorph of HfP is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of HfP?
The computed density of the ground-state structure of HfP is 9.73 g/cm³.
How many polymorphs of HfP are known?
233 structures of HfP are reported across 4 databases, spanning 32 distinct space groups.
What elements does HfP contain?
HfP contains Hf and P (2 elements).
Where does the data for HfP come from?
HfP data is cross-referenced from materials_project, mpaloe, jarvis.
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).
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