Bader analysis: YCoSn5_Pd5TlAs

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Atom Settings:

  Sn Color: (,,)


  Sn Size:


  Y Color: (,,)


  Y Size:


  Co Color: (,,)


  Co Size:



Connection Settings:

SnSn Connection Max. Length:

SnY Connection Max. Length:

SnCo Connection Max. Length:

YY Connection Max. Length:

YCo Connection Max. Length:

CoCo Connection Max. Length:

SnSn Connection Radius:

SnY Connection Radius:

SnCo Connection Radius:

YY Connection Radius:

YCo Connection Radius:

CoCo Connection Radius:



Bader Charge:


Bader 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: YCoSn5
Structure Type: TlPd5As#MgPt5As
HMS Space Group:
Number of Unique Sites: 1

Atom type 1
Profile: Sn-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -0.0398
Num. of equivalent sites: 1 site

Atom type 2
Profile: Sn-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 0.0003
Num. of equivalent sites: 4 equivalent sites

Atom type 3
Profile: Y-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: -0.0759
Num. of equivalent sites: 1 site

Atom type 4
Profile: Co-0
PSP type: 0
Localized electrons: 0.000000
Atomic charge: 0.0003
Num. of equivalent sites: 1 site

Hartwigsen-Goedecker-Hutter psp for Co, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Sn, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Co, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Sn, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Co, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Sn, from PRB58, 3641 (1998)
Version 7.10.5 of ABINIT
DFT Method: Local Density Approximation
Atomic Volume Partioning Method: Bader

Bader Scheme Contributor: jdkraus
Calculation was completed on: __-__-____