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.
Structure Info
Formula Lu8 Al16 (24 sites)
Charge 0e
Cell
Volume, Density 459 ų, 6.63 g/cm³
a, b, c 7.7123, 7.7123, 7.7123 Å
α, β, γ 90°, 90°, 90°
Sites
Lu1 Lutetium
Fractional (0, 0.5, 0)
Cartesian (0, 3.8562, 0) Å
Lu2 Lutetium
Fractional (0.75, 0.25, 0.25)
Cartesian (5.7842, 1.9281, 1.9281) Å
Lu3 Lutetium
Fractional (0, 0, 0.5)
Cartesian (0, 0, 3.8562) Å
Lu4 Lutetium
Fractional (0.75, 0.75, 0.75)
Cartesian (5.7842, 5.7842, 5.7842) Å
Lu5 Lutetium
Fractional (0.5, 0.5, 0.5)
Cartesian (3.8562, 3.8562, 3.8562) Å
Lu6 Lutetium
Fractional (0.25, 0.25, 0.75)
Cartesian (1.9281, 1.9281, 5.7842) Å
Lu7 Lutetium
Fractional (0.5, 0, 0)
Cartesian (3.8562, 0, 0) Å
Lu8 Lutetium
Fractional (0.25, 0.75, 0.25)
Cartesian (1.9281, 5.7842, 1.9281) Å
Al9 Aluminium
Fractional (0.125, 0.125, 0.125)
Cartesian (0.964, 0.964, 0.964) Å
Al10 Aluminium
Fractional (0.625, 0.375, 0.875)
Cartesian (4.8202, 2.8921, 6.7483) Å
Al11 Aluminium
Fractional (0.875, 0.125, 0.875)
Cartesian (6.7483, 0.964, 6.7483) Å
Al12 Aluminium
Fractional (0.375, 0.375, 0.125)
Cartesian (2.8921, 2.8921, 0.964) Å
Al13 Aluminium
Fractional (0.125, 0.625, 0.625)
Cartesian (0.964, 4.8202, 4.8202) Å
Al14 Aluminium
Fractional (0.625, 0.875, 0.375)
Cartesian (4.8202, 6.7483, 2.8921) Å
Al15 Aluminium
Fractional (0.875, 0.625, 0.375)
Cartesian (6.7483, 4.8202, 2.8921) Å
Al16 Aluminium
Fractional (0.375, 0.875, 0.625)
Cartesian (2.8921, 6.7483, 4.8202) Å
Al17 Aluminium
Fractional (0.625, 0.125, 0.625)
Cartesian (4.8202, 0.964, 4.8202) Å
Al18 Aluminium
Fractional (0.125, 0.375, 0.375)
Cartesian (0.964, 2.8921, 2.8921) Å
Al19 Aluminium
Fractional (0.375, 0.125, 0.375)
Cartesian (2.8921, 0.964, 2.8921) Å
Al20 Aluminium
Fractional (0.875, 0.375, 0.625)
Cartesian (6.7483, 2.8921, 4.8202) Å
Al21 Aluminium
Fractional (0.625, 0.625, 0.125)
Cartesian (4.8202, 4.8202, 0.964) Å
Al22 Aluminium
Fractional (0.125, 0.875, 0.875)
Cartesian (0.964, 6.7483, 6.7483) Å
Al23 Aluminium
Fractional (0.375, 0.625, 0.875)
Cartesian (2.8921, 4.8202, 6.7483) Å
Al24 Aluminium
Fractional (0.875, 0.875, 0.125)
Cartesian (6.7483, 6.7483, 0.964) Å
Usage Tips
File Drop Drop POSCAR, XYZ, CIF or JSON files to load structures
Atom Selection Click atoms to select them, then pick distance or angle mode to measure all pairwise distances/angles
Navigation Hold Shift/Cmd/Ctrl + drag to pan the scene
Camera Reset Double-click anywhere to reset camera to default view
Colors Click legend labels to change colors, double-click to reset, right-click to remap elements
Keyboard Press 'f' for fullscreen, 'i' to toggle this pane
Export as text
JSON
XYZ
CIF
POSCAR
Export as image
Export as 3D model
GLB
OBJ
Visibility
Camera
X = °
Y = °
Z = °
Atoms
- Vesta
Cell
Background
Lighting
Bonds
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).
Structure Info
Formula Zr2 Bi2 O8 (12 sites)
Charge 0e
Cell
Volume, Density 153 ų, 7.905 g/cm³
a, b, c 5.3485, 5.3485, 5.3485 Å
α, β, γ 90°, 90°, 90°
Sites
Bi1 Bismuth
Fractional (0, 0, 0)
Cartesian (0, 0, 0) Å
Bi2 Bismuth
Fractional (0.5, 0.5, 0)
Cartesian (2.6742, 2.6742, 0) Å
Bi3 Bismuth
Fractional (0.5, 0, 0.5)
Cartesian (2.6742, 0, 2.6742) Å
Bi4 Bismuth
Fractional (0, 0.5, 0.5)
Cartesian (0, 2.6742, 2.6742) Å
O5 Oxygen
Fractional (0.25, 0.25, 0.25)
Cartesian (1.3371, 1.3371, 1.3371) Å
O6 Oxygen
Fractional (0.75, 0.75, 0.25)
Cartesian (4.0114, 4.0114, 1.3371) Å
O7 Oxygen
Fractional (0.75, 0.75, 0.75)
Cartesian (4.0114, 4.0114, 4.0114) Å
O8 Oxygen
Fractional (0.75, 0.25, 0.75)
Cartesian (4.0114, 1.3371, 4.0114) Å
O9 Oxygen
Fractional (0.75, 0.25, 0.25)
Cartesian (4.0114, 1.3371, 1.3371) Å
O10 Oxygen
Fractional (0.25, 0.75, 0.75)
Cartesian (1.3371, 4.0114, 4.0114) Å
O11 Oxygen
Fractional (0.25, 0.75, 0.25)
Cartesian (1.3371, 4.0114, 1.3371) Å
O12 Oxygen
Fractional (0.25, 0.25, 0.75)
Cartesian (1.3371, 1.3371, 4.0114) Å
Usage Tips
File Drop Drop POSCAR, XYZ, CIF or JSON files to load structures
Atom Selection Click atoms to select them, then pick distance or angle mode to measure all pairwise distances/angles
Navigation Hold Shift/Cmd/Ctrl + drag to pan the scene
Camera Reset Double-click anywhere to reset camera to default view
Colors Click legend labels to change colors, double-click to reset, right-click to remap elements
Keyboard Press 'f' for fullscreen, 'i' to toggle this pane
Export as text
JSON
XYZ
CIF
POSCAR
Export as image
Export as 3D model
GLB
OBJ
Visibility
Camera
X = °
Y = °
Z = °
Atoms
- Vesta
Cell
Background
Lighting
Bonds
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.
Structure Info
Formula Al26 Fe16 Si53 O105 (200 sites)
Charge 0e
Cell
Volume, Density 8k ų, 0.989 g/cm³
a, b, c 20, 20, 20 Å
α, β, γ 90°, 90°, 90°
Show 200 sites ▼
Usage Tips
File Drop Drop POSCAR, XYZ, CIF or JSON files to load structures
Atom Selection Click atoms to select them, then pick distance or angle mode to measure all pairwise distances/angles
Navigation Hold Shift/Cmd/Ctrl + drag to pan the scene
Camera Reset Double-click anywhere to reset camera to default view
Colors Click legend labels to change colors, double-click to reset, right-click to remap elements
Keyboard Press 'f' for fullscreen, 'i' to toggle this pane
Export as text
JSON
XYZ
CIF
POSCAR
Export as image
Export as 3D model
GLB
OBJ
Visibility
Camera
X = °
Y = °
Z = °
Atoms
- Vesta
Cell
Background
Lighting
Bonds
Drag & Drop
Drag and drop structure files here to visualize RDFs