Ni2P4
Ni2P4 has a DFT band gap of 0.37 eV across 26 reported structures in 11 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ni2P4, 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.
0.37 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
4 databases, 11 space groups
Reference
Frequently Asked Questions
Common questions about Ni2P4, answered from cross-validated data.
What is the band gap of Ni2P4?
Ni2P4 has a DFT-computed band gap of 0.37 eV across 26 reported structures.
More questions
Is Ni2P4 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is Ni2P4 thermodynamically stable?
Yes — Ni2P4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ni2P4 are known?
26 structures of Ni2P4 are reported across 4 databases, spanning 11 distinct space groups.
What elements does Ni2P4 contain?
Ni2P4 contains Ni and P (2 elements).
Where does the data for Ni2P4 come from?
Ni2P4 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Transition-Metal Phosphide Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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