New CP Scale:
Current CP Scale:
Ba Color: (,,)
Ba Size: Å
Mg Color: (,,)
Mg Size: Å
Ba-Ba Connection Maximum Length: Å
Ba-Mg Connection Maximum Length: Å
Mg-Mg Connection Maximum Length: Å
Ba-Ba Connection Radius: Å
Ba-Mg Connection Radius: Å
Mg-Mg Connection Radius: Å
Atom Centered
Polyhedron Radius: Å
Material Transparency:
Material Color: (,,)
Non Centered
Material Transparency:
Material Color: (,,)
ScaleBar Postition X-Shift:
ScaleBar Postition Y-Shift:
Show ScaleBar:
ScaleBar Size: GPa
System Name: Ba2Mg17
Number of Unique Sites: 15
Atom type 1
Profile: Ba1-den
PSP type: 0
Localized electrons: 0.1381615
Atom type 2
Profile: Mg1-den
PSP type: 0
Localized electrons: 0.292609
Atom type 3
Profile: Mg2-den
PSP type: 0
Localized electrons: 0.0983695
Atom type 4
Profile: Mg3-den
PSP type: 0
Localized electrons: 0.27917
Atom type 5
Profile: Mg4-den
PSP type: 0
Localized electrons: 0.0979615
Atom type 6
Profile: Mg5-den
PSP type: 0
Localized electrons: 0.0983695
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
CP Scheme Contributor: jdkraus, UW-Madison
Calculation was completed on: 14-11-2022