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Ce8Co4P

Alexandria ALEX

Alex-ID: agm097789986 · Space group: C2/m (#12)

Basic Information

Formula
Ce8Co4P
Alex-ID
agm097789986
Elements
3
Sites
13
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
282.50
ų
Cell a
4.2660
Å
Cell b
8.3924
Å
Cell c
8.3912
Å
α angle
74.76
°
β angle
79.74
°
γ angle
79.77
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce8Co4P
Ce
8.00 · 61.5%
Co
4.00 · 30.8%
P
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1746
eV/atom
Formation energy
-0.2157
eV/atom
Corrected total energy
-84.1796
eV
Raw total energy
-84.1796
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
25.6161
Total magnetisation
0.0018
μB

Additional Information

Prototype ID

AB4C8_213_spg2

Decomposition

CeCo Ce CeP

Computed at

2025-06-18 05:31:37

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: agm097789986).

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 agm097789986
data_agm097789986
_cell_length_a     4.26599
_cell_length_b     8.39243
_cell_length_c     8.39122
_cell_angle_alpha  74.76229
_cell_angle_beta   79.73546
_cell_angle_gamma  79.76719
_cell_volume       282.50134
_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
  Ce1 Ce 0.28603 0.20995 0.20983 1.00000
  Ce2 Ce 0.28379 0.65633 0.11109 1.00000
  Ce3 Ce 0.29409 0.63425 0.63404 1.00000
  Ce4 Ce 0.28372 0.11087 0.65650 1.00000
  Ce5 Ce 0.71628 0.88913 0.34350 1.00000
  Ce6 Ce 0.70591 0.36575 0.36596 1.00000
  Ce7 Ce 0.71621 0.34367 0.88891 1.00000
  Ce8 Ce 0.71397 0.79005 0.79017 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
  Co3 Co 0.00000 0.50000 0.50000 1.00000
  Co4 Co 0.00000 0.00000 0.50000 1.00000
  P1 P 0.50000 0.00000 0.00000 1.00000
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