Fe Color: (,,)
  Fe Size: Å
  P Color: (,,)
  P Size: Å
FeFe Connection Max. Length: Å
FeP Connection Max. Length: Å
PP Connection Max. Length: Å
FeFe Connection Radius: Å
FeP Connection Radius: Å
PP 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: Fe2P
Structure Type: ZrNiAl-Fe2P
HMS Space Group: 'P-62m'
Number of Unique Sites: 4
Atom type 1
Profile: Fe-0.000000
PSP type: 0
Localized electrons: 2.040000
Atomic charge: 0.064
Num. of equivalent sites: 3 equivalent sites
Atom type 2
Profile: Fe-0.000000
PSP type: 0
Localized electrons: 2.062000
Atomic charge: 0.331
Num. of equivalent sites: 3 equivalent sites
Atom type 3
Profile: P-0.000000
PSP type: 0
Localized electrons: 0.050000
Atomic charge: -0.45
Num. of equivalent sites: 1 site
Atom type 4
Profile: P-0.000000
PSP type: 0
Localized electrons: 0.049500
Atomic charge: -0.369
Num. of equivalent sites: 2 equivalent sites
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
Atomic Volume Partioning Method: Bader
Bader Scheme Contributor: jvanbuskirk
Calculation was completed on: 30-04-2020