Sr2PAu
Sr2PAu has a DFT band gap of 0.68 eV across 4 reported structures in 3 space groups. Cross-validated across 2 computational databases.
AuPSr
At a glance
Key Properties
Cross-validated computational properties for Sr2PAu, 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.
0.68 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.
1.431 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
2 databases, 3 space groups
Reference
Frequently Asked Questions
Common questions about Sr2PAu, answered from cross-validated data.
What is the band gap of Sr2PAu?
Sr2PAu has a DFT-computed band gap of 0.68 eV across 4 reported structures.
More questions
Is Sr2PAu a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is Sr2PAu thermodynamically stable?
Sr2PAu has a lowest energy above hull of 1.431 eV/atom (above hull).
How many polymorphs of Sr2PAu are known?
4 structures of Sr2PAu are reported across 2 databases, spanning 3 distinct space groups.
What elements does Sr2PAu contain?
Sr2PAu contains Au, P, and Sr (3 elements).
Where does the data for Sr2PAu come from?
Sr2PAu data is cross-referenced from latticegraph.
Reading
Related Research
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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