AtomSite#

class de_ebsd.crystal.AtomSite(element, position, occupancy=1.0, debye_waller=0.005)[source]#

Bases: object

One site of the asymmetric unit.

Parameters:

element: Element symbol, e.g. "Si".
position: Fractional coordinates (x, y, z) in the unit cell.
occupancy: Site occupancy in [0, 1].
debye_waller: Isotropic Debye-Waller factor B in nm^2 (EMsoft convention; 0.005 nm^2 = 0.5 A^2 is a reasonable room-temperature default).

Methods

Attributes

`debye_waller`
`occupancy`
`element`
`position`