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Co5P

Alexandria ALEX

Alex-ID: agm005431374 · Space group: Cmmm (#65)

Basic Information

Formula
Co5P
Alex-ID
agm005431374
Elements
2
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
63.84
ų
Cell a
5.5681
Å
Cell b
5.5681
Å
Cell c
3.4465
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co5P
Co
5.00 · 83.3%
P
1.00 · 16.7%

Energy & Stability

Energy above hull
0.2028
eV/atom
Formation energy
-0.0782
eV/atom
Corrected total energy
-41.4979
eV
Raw total energy
-41.4979
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0074
eV
DOS at Fermi level
6.8190
Total magnetisation
6.1861
μB

Additional Information

Prototype ID

AB5_8_spg65

Decomposition

Co2P Co

Computed at

2023-03-21 17:45:21.642938

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: agm005431374).

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 agm005431374
data_agm005431374
_cell_length_a     5.56810
_cell_length_b     5.56810
_cell_length_c     3.44654
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.31494
_cell_volume       63.83724
_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 0.33385 0.66615 0.50000 1.00000
  Co2 Co 0.17027 0.82973 0.00000 1.00000
  Co3 Co 0.00000 0.00000 0.50000 1.00000
  Co4 Co 0.82973 0.17027 0.00000 1.00000
  Co5 Co 0.66615 0.33385 0.50000 1.00000
  P1 P 0.50000 0.50000 0.00000 1.00000
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