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V5Ge2P

Alexandria ALEX

Alex-ID: agm005997663 · Space group: Pbam (#55)

Basic Information

Formula
V5Ge2P
Alex-ID
agm005997663
Elements
3
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
216.80
ų
Cell a
4.0554
Å
Cell b
5.2539
Å
Cell c
10.1752
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V5Ge2P
V
10.00 · 62.5%
Ge
4.00 · 25.0%
P
2.00 · 12.5%

Energy & Stability

Energy above hull
0.1908
eV/atom
Formation energy
-0.3383
eV/atom
Corrected total energy
-125.8882
eV
Raw total energy
-125.8882
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0281
eV
DOS at Fermi level
13.2340
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_20_spg55

Decomposition

V12P7 V11Ge8 V5Ge3

Computed at

2023-09-03 16:05:08

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997663).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005997663
data_agm005997663
_cell_length_a     4.05540
_cell_length_b     5.25386
_cell_length_c     10.17518
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       216.79793
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  V1 V 0.00000 0.00000 0.50000 1.00000
  V2 V 0.00000 0.50000 0.00000 1.00000
  V3 V 0.00000 0.92358 0.23578 1.00000
  V4 V 0.00000 0.07642 0.76422 1.00000
  V5 V 0.00000 0.57642 0.73578 1.00000
  V6 V 0.00000 0.42358 0.26422 1.00000
  V7 V 0.50000 0.66398 0.40309 1.00000
  V8 V 0.50000 0.33602 0.59691 1.00000
  V9 V 0.50000 0.83602 0.90309 1.00000
  V10 V 0.50000 0.16398 0.09691 1.00000
  Ge1 Ge 0.50000 0.64487 0.15143 1.00000
  Ge2 Ge 0.50000 0.35513 0.84857 1.00000
  Ge3 Ge 0.50000 0.85513 0.65143 1.00000
  Ge4 Ge 0.50000 0.14487 0.34857 1.00000
  P1 P 0.00000 0.50000 0.50000 1.00000
  P2 P 0.00000 0.00000 0.00000 1.00000
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