Dr. Probe Examples Creation Structure Models

Dr. Probe

HR(S)TEM image simulation package


Follow these examples of image simulations for learning how to use the Dr. Probe software. They may also serve as templates for your own simulations.


Below you find a list of sample structures collected & ready to be used for TEM and STEM image simulations.


The provided models are in orthogonal super-cells and space group P1.


Atoms might be shifted in the cells to minimize slicing artifacts.


References are only given to cells in the same orientation as the original.


The list is in alphabetical order of the chemical formulae.


With the ICSD codes you may lookup structure data from the ICSD Web.

Formula [hkl] Image Structure files Ref. / DOI / ICSD code
AlN [001] CIFCEL 10.1016/0038-1098(77)90959-0
ICSD 34475
Au [001] CIFCEL 10.1007/BF00917194
ICSD 52700
Fe [001] CIFCEL Straumanis & Kim, Z. Metallkd. 60 (1969) 272
ICSD 631734
MgO [001] CIFCEL 10.1107/S0108768197008963
ICSD 52026
Ru3Sn7 [001] CIFCEL 10.1016/S0925-8388(98)00790-7
ICSD 54511
Si [001] CIFCEL 10.4028/www.scientific.net/MSF.378-381.288
ICSD 51688
  [110] CIFCEL  
SrTiO3 [001] CIFCEL 10.1107/S0108768195003752
ICSD 80874
  [110] CIFCEL  
WSe2 [001] CIFCEL 10.1016/0022-4596(87)90057-0
ICSD 40752
Debye-Waller factors from Chien et al., Chin. J Phys. 26 (1988) 119–125.