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CePrCoGe

Alexandria ALEX

Alex-ID: agm005209095 · Space group: P4/nmm (#129)

Alexandria Database API

Basic Information

Formula
CePrCoGe
Alex-ID
agm005209095
Elements
4
Sites
8
Space group
P4/nmm (#129)
Crystal system
tetragonal
Volume
204.68
ų
Cell a
4.9116
Å
Cell b
4.9116
Å
Cell c
8.4846
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CePrCoGe
Ce
2.00 · 25.0%
Pr
2.00 · 25.0%
Co
2.00 · 25.0%
Ge
2.00 · 25.0%

Energy & Stability

Energy above hull
0.1786
eV/atom
Formation energy
-0.3900
eV/atom
Corrected total energy
-48.0377
eV
Raw total energy
-48.0377
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.5835
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD_1438_spg59

Decomposition

Ce4Co4Ge3 Pr4Ge3 CeCo

Computed at

2022-07-10 11:30:38.194354

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: agm005209095).

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 agm005209095
data_agm005209095
_cell_length_a     4.91159
_cell_length_b     4.91159
_cell_length_c     8.48460
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       204.67998
_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
  Ce2 Ce 0.50000 0.50000 0.50000 1.00000
  Pr1 Pr 0.00000 0.50000 0.86028 1.00000
  Pr2 Pr 0.50000 0.00000 0.13972 1.00000
  Co1 Co 0.00000 0.50000 0.49281 1.00000
  Co2 Co 0.50000 0.00000 0.50719 1.00000
  Ge1 Ge 0.50000 0.00000 0.79064 1.00000
  Ge2 Ge 0.00000 0.50000 0.20936 1.00000
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