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Co5P4

Alexandria ALEX

Alex-ID: agm002350366 · Space group: I4/m (#87)

Basic Information

Formula
Co5P4
Alex-ID
agm002350366
Elements
2
Sites
9
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
111.37
ų
Cell a
3.2529
Å
Cell b
6.0718
Å
Cell c
6.0732
Å
α angle
85.89
°
β angle
74.48
°
γ angle
74.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co5P4
P
4.00 · 44.4%
Co
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1510
eV/atom
Formation energy
-0.4192
eV/atom
Corrected total energy
-61.0315
eV
Raw total energy
-61.0315
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.1738
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

A4B5_4_spg139

Decomposition

Co2P CoP

Computed at

2019-02-08 23:08:23

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: agm002350366).

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 agm002350366
data_agm002350366
_cell_length_a     3.25295
_cell_length_b     6.07183
_cell_length_c     6.07317
_cell_angle_alpha  85.89147
_cell_angle_beta   74.47509
_cell_angle_gamma  74.50210
_cell_volume       111.37425
_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
  P1 P 0.94707 0.31980 0.78536 1.00000
  P2 P 0.26734 0.78540 0.68024 1.00000
  P3 P 0.73266 0.21460 0.31976 1.00000
  P4 P 0.05293 0.68020 0.21464 1.00000
  Co1 Co 0.71858 0.66440 0.89829 1.00000
  Co2 Co 0.38377 0.89824 0.33562 1.00000
  Co3 Co 0.61623 0.10176 0.66438 1.00000
  Co4 Co 0.28142 0.33560 0.10171 1.00000
  Co5 Co 0.00000 0.00000 0.00000 1.00000
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