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Co3P2

Alexandria ALEX

Alex-ID: agm005506863 · Space group: Fdd2 (#43)

Basic Information

Formula
Co3P2
Alex-ID
agm005506863
Elements
2
Sites
10
Space group
Fdd2 (#43)
Crystal system
orthorhombic
Volume
112.61
ų
Cell a
7.3165
Å
Cell b
5.6484
Å
Cell c
5.5211
Å
α angle
81.84
°
β angle
49.83
°
γ angle
48.33
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co3P2
Co
6.00 · 60.0%
P
4.00 · 40.0%

Energy & Stability

Energy above hull
0.2640
eV/atom
Formation energy
-0.3030
eV/atom
Corrected total energy
-67.4120
eV
Raw total energy
-67.4120
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
7.8423
Total magnetisation
-0.0181
μB

Additional Information

Prototype ID

A2B3_502_spg43

Decomposition

Co2P CoP

Computed at

2023-03-20 12:18:41.760944

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: agm005506863).

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 agm005506863
data_agm005506863
_cell_length_a     7.31650
_cell_length_b     5.64843
_cell_length_c     5.52111
_cell_angle_alpha  81.83686
_cell_angle_beta   49.83499
_cell_angle_gamma  48.32816
_cell_volume       112.60643
_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 0.22139 0.16437 0.03634 1.00000
  Co2 Co 0.57790 0.03634 0.16437 1.00000
  Co3 Co 0.21366 0.67210 0.02861 1.00000
  Co4 Co 0.08563 0.02861 0.67210 1.00000
  Co5 Co 0.90547 0.59453 0.59453 1.00000
  Co6 Co 0.65547 0.34453 0.34453 1.00000
  P1 P 0.77611 0.07053 0.63424 1.00000
  P2 P 0.51912 0.63424 0.07053 1.00000
  P3 P 0.61576 0.73088 0.47389 1.00000
  P4 P 0.17947 0.47389 0.73088 1.00000
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