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Co8P

Alexandria ALEX

Alex-ID: agm005503486 · Space group: I4/mmm (#139)

Basic Information

Formula
Co8P
Alex-ID
agm005503486
Elements
2
Sites
9
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
97.01
ų
Cell a
5.5434
Å
Cell b
5.5434
Å
Cell c
5.5434
Å
α angle
95.75
°
β angle
95.75
°
γ angle
143.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co8P
Co
8.00 · 88.9%
P
1.00 · 11.1%

Energy & Stability

Energy above hull
0.1477
eV/atom
Formation energy
-0.0396
eV/atom
Corrected total energy
-62.7566
eV
Raw total energy
-62.7566
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5085
Total magnetisation
11.7557
μB

Additional Information

Prototype ID

AB8_0_spg139

Decomposition

Co2P Co

Computed at

2023-03-19 14:30:16.820007

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: agm005503486).

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 agm005503486
data_agm005503486
_cell_length_a     5.54336
_cell_length_b     5.54336
_cell_length_c     5.54336
_cell_angle_alpha  95.74758
_cell_angle_beta   95.74758
_cell_angle_gamma  143.10223
_cell_volume       97.01496
_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
  Co1 Co 0.66761 0.33239 0.00000 1.00000
  Co2 Co 0.33239 0.66761 0.00000 1.00000
  Co3 Co 0.00000 0.66404 0.66404 1.00000
  Co4 Co 0.33239 0.33239 0.66477 1.00000
  Co5 Co 0.66404 0.00000 0.66404 1.00000
  Co6 Co 0.66761 0.66761 0.33523 1.00000
  Co7 Co 0.00000 0.33596 0.33596 1.00000
  Co8 Co 0.33596 0.00000 0.33596 1.00000
  P1 P 0.00000 0.00000 0.00000 1.00000
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