Al Color: (,,)
Al Size: Å
Cu Color: (,,)
Cu Size: Å
AlAl Connection Max. Length: Å
AlCu Connection Max. Length: Å
CuCu Connection Max. Length: Å
AlAl Connection Radius: Å
AlCu 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: CuAl2
Structure Type: Unknown
HMS Space Group:
Number of Unique Sites: 2
Atom type 1
Profile: Al_50.txt
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 0.733
Num. of equivalent sites: 4 equivalent sites
Atom type 2
Profile: Cu_50.txt
PSP type: 1
Localized electrons: 5.6085
Atomic charge: -1.458
Num. of equivalent sites: 2 equivalent sites
Hartwigsen-Goedecker-Hutter psp for Al, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Al, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Cu, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Al, 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: Kendall_Kamp
Calculation was completed on: 07-08-2018