Au Color: (,,)
  Au Size: Å
  Cu Color: (,,)
  Cu Size: Å
AuAu Connection Max. Length: Å
AuCu Connection Max. Length: Å
CuCu Connection Max. Length: Å
AuAu Connection Radius: Å
AuCu Connection Radius: Å
CuCu Connection Radius: Å
Bader Coefficient:
Scale Sphere Postition X-Shift:
Scale Sphere Position Y-Compress:
Show Scale Spheres:
Atom Centered
Polyhedron Radius: Å
Material Transparency:
Material Color: (,,)
Non Centered
Material Transparency:
Material Color: (,,)
System Name: AuCu3
Structure Type: Auricupride#AuCu3
HMS Space Group:
Number of Unique Sites: 2
Atom type 1
Profile: Au-0.000000
PSP type: 1
Localized electrons: 0.000000
Atomic charge: -0.879
Num. of equivalent sites: 1 site
Atom type 2
Profile: Cu-0.000000
PSP type: 1
Localized electrons: 2.248111
Atomic charge: 0.293
Num. of equivalent sites: 3 equivalent sites
Hartwigsen-Goedecker-Hutter psp for Au, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Au, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Au, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Version 7.10.5 of ABINIT
DFT Method: Local Density Approximation
Atomic Volume Partioning Method: Bader
Bader Scheme Contributor: jvanbuskirk
Calculation was completed on: 09-11-2021