Ti Color: (,,)
  Ti Size: Å
  Ni Color: (,,)
  Ni Size: Å
  Si Color: (,,)
  Si Size: Å
TiTi Connection Max. Length: Å
TiNi Connection Max. Length: Å
TiSi Connection Max. Length: Å
NiNi Connection Max. Length: Å
NiSi Connection Max. Length: Å
SiSi Connection Max. Length: Å
TiTi Connection Radius: Å
TiNi Connection Radius: Å
TiSi Connection Radius: Å
NiNi Connection Radius: Å
NiSi Connection Radius: Å
SiSi 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: TiNiSi
Structure Type: TiNiSi#MgSrSi
HMS Space Group:
Number of Unique Sites: 3
Atom type 1
Profile: Ti-0.000000
PSP type: 0
Localized electrons: 0.417000
Atomic charge: 1.077
Num. of equivalent sites: 4 equivalent sites
Atom type 2
Profile: Ni-0.000000
PSP type: 0
Localized electrons: 3.692000
Atomic charge: -0.748
Num. of equivalent sites: 4 equivalent sites
Atom type 3
Profile: Si-0.000000
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -0.33
Num. of equivalent sites: 4 equivalent sites
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Si, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ti, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Si, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ti, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Si, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ti, 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: 05-06-2020