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Ce2Pm2CoPb2

Alexandria ALEX

Alex-ID: agm025614585 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Ce2Pm2CoPb2
Alex-ID
agm025614585
Elements
4
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
205.15
ų
Cell a
9.3090
Å
Cell b
9.3090
Å
Cell c
9.3090
Å
α angle
149.67
°
β angle
149.67
°
γ angle
43.43
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Pm2CoPb2
Ce
2.00 · 28.6%
Pm
2.00 · 28.6%
Co
1.00 · 14.3%
Pb
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4599
eV/atom
Corrected total energy
-39.1106
eV
Raw total energy
-39.1106
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
5.1356
Total magnetisation
0.1900
μB

Additional Information

Prototype ID

AB2C2D2_1_spg139

Decomposition

Ce2Pm2CoPb2

Computed at

2025-04-18 00:30:36

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: agm025614585).

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 agm025614585
data_agm025614585
_cell_length_a     9.30895
_cell_length_b     9.30895
_cell_length_c     9.30895
_cell_angle_alpha  149.66993
_cell_angle_beta   149.66993
_cell_angle_gamma  43.42613
_cell_volume       205.15276
_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 0.50000 0.00000 0.50000 1.00000
  Ce2 Ce 0.00000 0.50000 0.50000 1.00000
  Pm1 Pm 0.17370 0.17370 0.00000 1.00000
  Pm2 Pm 0.82630 0.82630 0.00000 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Pb1 Pb 0.36081 0.36081 0.00000 1.00000
  Pb2 Pb 0.63919 0.63919 0.00000 1.00000
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