Ni Color: (,,)
Ni Size: Å
As Color: (,,)
As Size: Å
NiNi Connection Max. Length: Å
NiAs Connection Max. Length: Å
AsAs Connection Max. Length: Å
NiNi Connection Radius: Å
NiAs Connection Radius: Å
AsAs 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: NiAs2
Structure Type: Unknown
HMS Space Group:
Number of Unique Sites: 3
Atom type 1
Profile: Ni_100
PSP type: 0
Localized electrons: 3.903
Atomic charge: -0.092
Num. of equivalent sites: 8 equivalent sites
Atom type 2
Profile: As1_100
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 0.045
Num. of equivalent sites: 8 equivalent sites
Atom type 3
Profile: As2_100
PSP type: 0
Localized electrons: 0.0135
Atomic charge: 0.048
Num. of equivalent sites: 8 equivalent sites
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for As, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for As, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for As, 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: 04-05-2021