CP analysis: Fe2P_CP_I100

Main Page Atomic Charges CP 0% Ionicity CP 25% Ionicity CP 50% Ionicity CP 75% Ionicity CP 100% Ionicity Band Struct + DOS Download Data Updates

CP Scale:

New CP Scale:

Current CP Scale:




Atom Settings:

  Fe Color: (,,)


  Fe Size:


  P Color: (,,)


  P Size:



Connection Settings:

Fe-Fe Connection Maximum Length:

Fe-P Connection Maximum Length:

P-P Connection Maximum Length:

Fe-Fe Connection Radius:

Fe-P Connection Radius:

P-P Connection Radius:



Add Polyhedra:

Atom Centered

Polyhedron Radius:

Material Transparency:

Material Color: (,,)

Non Centered

Material Transparency:

Material Color: (,,)



ScaleBar Settings:

ScaleBar Postition X-Shift:

ScaleBar Postition Y-Shift:

Show ScaleBar:

ScaleBar Size: GPa



Template Settings:



System Name: Fe2P
Number of Unique Sites: 4

Atom type 1
Profile: Fe1-den
PSP type: 0
Localized electrons: 2.040000

Atom type 2
Profile: Fe2-den
PSP type: 0
Localized electrons: 2.062000

Atom type 3
Profile: P1-den
PSP type: 0
Localized electrons: 0.050000

Atom type 4
Profile: P2-den
PSP type: 0
Localized electrons: 0.049500

Hartwigsen-Goedecker-Hutter psp for Fe, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for P, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Fe, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for P, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for Fe, from PRB58, 3641 (1998)
Hartwigsen-Goedecker-Hutter psp for P, from PRB58, 3641 (1998)
Version 7.10.5 of ABINIT
DFT Method: Local Density Approximation

CP Scheme Contributor: jvanbuskirk, UW-Madison
Calculation was completed on: 30-04-2020