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Ce(Pm2Co)2

Alexandria ALEX

Alex-ID: agm096201217 · Space group: Amm2 (#38)

Basic Information

Formula
Ce(Pm2Co)2
Alex-ID
agm096201217
Elements
3
Sites
7
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
192.57
ų
Cell a
4.9092
Å
Cell b
3.7727
Å
Cell c
10.6830
Å
α angle
90.00
°
β angle
76.73
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(Pm2Co)2
Ce
1.00 · 14.3%
Pm
4.00 · 57.1%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1504
eV/atom
Formation energy
0.0287
eV/atom
Corrected total energy
-38.9832
eV
Raw total energy
-38.9832
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0023
eV
DOS at Fermi level
8.7594
Total magnetisation
0.3645
μB

Additional Information

Prototype ID

AB2C4_3643_spg10

Decomposition

Ce(PmCo)2 Pm

Computed at

2025-04-10 16:54:03

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: agm096201217).

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 agm096201217
data_agm096201217
_cell_length_a     4.90917
_cell_length_b     3.77271
_cell_length_c     10.68297
_cell_angle_alpha  90.00000
_cell_angle_beta   76.72620
_cell_angle_gamma  90.00000
_cell_volume       192.57199
_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 0.53584 0.00000 0.99976 1.00000
  Pm1 Pm 0.93560 0.50000 0.19988 1.00000
  Pm2 Pm 0.71458 0.00000 0.64313 1.00000
  Pm3 Pm 0.32862 0.00000 0.41486 1.00000
  Pm4 Pm 0.14019 0.50000 0.79152 1.00000
  Co1 Co 0.03857 0.00000 0.99108 1.00000
  Co2 Co 0.80659 0.50000 0.45977 1.00000
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