Na Color: (,,)
Na Size: Å
Tl Color: (,,)
Tl Size: Å
NaNa Connection Max. Length: Å
NaTl Connection Max. Length: Å
TlTl Connection Max. Length: Å
NaNa Connection Radius: Å
NaTl Connection Radius: Å
TlTl 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: NaTl
Structure Type: NaTl
HMS Space Group:
Number of Unique Sites: 2
Atom type 1
Profile: Na-0.000000
PSP type: 0
Localized electrons: 0.2260005
Atomic charge: 0.713
Num. of equivalent sites: 2 equivalent sites
Atom type 2
Profile: Tl-0.000000
PSP type: 0
Localized electrons: 0.3678595
Atomic charge: -0.638
Num. of equivalent sites: 2 equivalent sites
Hartwigsen-Goedecker-Hutter psp for Na, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Tl, 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: 24-09-2021