Ba Color: (,,)
  Ba Size: Å
  Mg Color: (,,)
  Mg Size: Å
BaBa Connection Max. Length: Å
BaMg Connection Max. Length: Å
MgMg Connection Max. Length: Å
BaBa Connection Radius: Å
BaMg Connection Radius: Å
MgMg 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: Ba2Mg17
Structure Type: Th2Zn17
HMS Space Group:
Number of Unique Sites: 15
Atom type 1
Profile: Ba-0.000000
PSP type: 0
Localized electrons: 0.1381615
Atomic charge: 0.458
Num. of equivalent sites: 6 equivalent sites
Atom type 2
Profile: Mg-0.000000
PSP type: 0
Localized electrons: 0.292609
Atomic charge: 0.188
Num. of equivalent sites: 6 equivalent sites
Atom type 3
Profile: Mg-0.000000
PSP type: 0
Localized electrons: 0.0983695
Atomic charge: -0.159
Num. of equivalent sites: 9 equivalent sites
Atom type 4
Profile: Mg-0.000000
PSP type: 0
Localized electrons: 0.27917
Atomic charge: 0.077
Num. of equivalent sites: 17 equivalent sites
Atom type 5
Profile: Mg-0.000000
PSP type: 0
Localized electrons: 0.0979615
Atomic charge: -0.144
Num. of equivalent sites: 18 equivalent sites
Atom type 6
Profile: Mg-0.000000
PSP type: 0
Localized electrons: 0.0983695
Atomic charge: -0.229
Num. of equivalent sites: 18 equivalent sites
Hartwigsen-Goedecker-Hutter psp for Ba, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Mg, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ba, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Mg, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Ba, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Mg, 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: 14-11-2022