Cell Link RCP
 

Structure

The total number of atoms in the structure is indicated. The calculated radius is half the distance between the closer atoms, so the corresponding spheres touch each other and the other spheres have a small space between them.

The maximum radius is the radius that the spheres should have to achieve the maximum possible density, 0.74. This density is obtainable only in the most compact crystalline structures, so in random close packing structures the spheres would be superimposed.

The density is obtained dividing the occupied and total volumes, considering that all the spheres have the calculated radius. This density is usually between 0.62 and 0.64 in RCP structures.

Geometrical Neighbours

After scanning all the potential neighbours of each atom, the minimum and maximum number of neighbours, plus the average value and the standard deviation are reported.

The geometrical neighbours are all the atoms that are closer to the central atom than the maximum radius.

Topological Neighbours

After scanning all the potential neighbours of each atom, the minimum and maximum number of neighbours, plus the average value and the standard deviation are reported.

The topological neighbours are all the atoms that can touch the central atom, after moving both spheres until they touch at half-distance, without interfering with the other spheres.

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