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CeCo5GeP2

Alexandria ALEX

Alex-ID: agm005168659 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
CeCo5GeP2
Alex-ID
agm005168659
Elements
4
Sites
9
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
130.93
ų
Cell a
3.7295
Å
Cell b
3.7295
Å
Cell c
9.4137
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeCo5GeP2
Ce
1.00 · 11.1%
Co
5.00 · 55.6%
Ge
1.00 · 11.1%
P
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1810
eV/atom
Formation energy
-0.4844
eV/atom
Corrected total energy
-61.3498
eV
Raw total energy
-61.3498
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.3703
Total magnetisation
0.0069
μB

Additional Information

Prototype ID

ABC2D5_209_spg123

Decomposition

Ce6Co20P13 CeCo5P3 Ce(Co3Ge2)2 Co

Computed at

2023-01-17 20:29:42.720998

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: agm005168659).

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 agm005168659
data_agm005168659
_cell_length_a     3.72945
_cell_length_b     3.72945
_cell_length_c     9.41366
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       130.93266
_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 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.00000 0.50000 0.15566 1.00000
  Co2 Co 0.50000 0.00000 0.15566 1.00000
  Co3 Co 0.00000 0.50000 0.84434 1.00000
  Co4 Co 0.50000 0.00000 0.84434 1.00000
  Co5 Co 0.50000 0.50000 0.50000 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
  P1 P 0.50000 0.50000 0.27189 1.00000
  P2 P 0.50000 0.50000 0.72811 1.00000
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