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Ce2Pm2Pt

Alexandria ALEX

Alex-ID: agm003403733 · Space group: C2/m (#12)

Basic Information

Formula
Ce2Pm2Pt
Alex-ID
agm003403733
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
291.16
ų
Cell a
7.3673
Å
Cell b
7.1196
Å
Cell c
7.6866
Å
α angle
73.88
°
β angle
57.55
°
γ angle
58.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Pm2Pt
Ce
4.00 · 40.0%
Pm
4.00 · 40.0%
Pt
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1738
eV/atom
Formation energy
-0.3204
eV/atom
Corrected total energy
-58.1178
eV
Raw total energy
-58.1178
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0008
eV
DOS at Fermi level
21.8539
Total magnetisation
2.9735
μB

Additional Information

Prototype ID

AB2C2_1441_spg12

Decomposition

Pm5Pt3 Pm7Pt3 Ce

Computed at

2022-02-10 02:48:01.976561

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: agm003403733).

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 agm003403733
data_agm003403733
_cell_length_a     7.36729
_cell_length_b     7.11965
_cell_length_c     7.68661
_cell_angle_alpha  73.88339
_cell_angle_beta   57.55266
_cell_angle_gamma  58.84255
_cell_volume       291.15931
_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 0.80226 0.00000 0.42291 1.00000
  Ce2 Ce 0.57379 1.00000 0.19538 1.00000
  Ce3 Ce 0.42621 0.00000 0.80462 1.00000
  Ce4 Ce 0.19774 1.00000 0.57709 1.00000
  Pm1 Pm 0.57843 0.42557 0.75753 1.00000
  Pm2 Pm 0.42157 0.57443 0.24247 1.00000
  Pm3 Pm 0.00401 0.57443 0.75753 1.00000
  Pm4 Pm 0.99599 0.42557 0.24247 1.00000
  Pt1 Pt 0.11679 0.76641 1.00000 1.00000
  Pt2 Pt 0.88321 0.23359 0.00000 1.00000
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