IBHC Analysis: Y2Ni7_Gd2Co7

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Atom Settings:

  Y Color: (,,)


  Y Size:


  Ni Color: (,,)


  Ni Size:



Connection Settings:

YY Connection Max. Length:

YNi Connection Max. Length:

NiNi Connection Max. Length:

YY Connection Radius:

YNi Connection Radius:

NiNi Connection Radius:



IBHC Charge:


IBHC Coefficient:


Scale Sphere Postition X-Shift:

Scale Sphere Position Y-Compress:

Show Scale Spheres:



Add Polyhedra:

Atom Centered

Polyhedron Radius:

Material Transparency:

Material Color: (,,)

Non Centered

Material Transparency:

Material Color: (,,)



Template Settings:



System Name: Y2Ni7
Structure Type: Unknown
HMS Space Group:
Number of Unique Sites: 1

Atom type 1
Profile: Y-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 1.932
Num. of equivalent sites: 2 equivalent sites

Atom type 2
Profile: Y-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 2.15
Num. of equivalent sites: 2 equivalent sites

Atom type 3
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 10.398
Num. of equivalent sites: 1 site

Atom type 4
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 10.232
Num. of equivalent sites: 2 equivalent sites

Atom type 5
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 10.232
Num. of equivalent sites: 2 equivalent sites

Atom type 6
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 10.233
Num. of equivalent sites: 3 equivalent sites

Atom type 7
Profile: Ni-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 10.302
Num. of equivalent sites: 6 equivalent sites

Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ni, from PRB58, 3641 (1998)
Version 7.10.5 of ABINIT
DFT Method: Local Density Approximation
Atomic Volume Partioning Method: Interative Binary Hirshfeld

IBHC Scheme Contributor: jvanbuskirk
Calculation was completed on: __-__-____