Radial Distribution Functions (RDF)
g(r) describes the probability of finding an atom at distance r from a reference atom, normalized by bulk density. The line at g(r) = 1 represents uniform distribution (ideal gas).
Element-Pair RDFs
Partial RDFs show correlations between specific element pairs in NaCl: Na-Na, Na-Cl, and Cl-Cl reveal the crystal structure.
Full RDF
The full RDF averages all element pairs, like experimental measurements.
Complex: Bi₂Zr₂O₈
Cubic oxide structure (Fm3m) with partial occupancy, showing multiple element pairs (Bi-Bi, Bi-Zr, Bi-O, Zr-Zr, Zr-O, O-O).
Compare Structures
Amorphous Structure
Random atomic positions (Si-O-Al-Fe) show broad peaks vs sharp crystalline peaks. Increasing atoms shows g(r) → 1 at large distances.
Drag & Drop
Drop a JSON structure file to visualize its RDF.