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Ce5Pm2Pt5

Alexandria ALEX

Alex-ID: agm003373499 · Space group: C2/m (#12)

Basic Information

Formula
Ce5Pm2Pt5
Alex-ID
agm003373499
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
329.14
ų
Cell a
3.9998
Å
Cell b
7.1232
Å
Cell c
12.3719
Å
α angle
102.83
°
β angle
90.00
°
γ angle
106.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce5Pm2Pt5
Ce
5.00 · 41.7%
Pm
2.00 · 16.7%
Pt
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0673
eV/atom
Formation energy
-0.8570
eV/atom
Corrected total energy
-79.8946
eV
Raw total energy
-79.8945
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
31.0727
Total magnetisation
4.4630
μB

Additional Information

Prototype ID

A2B5C5_0_spg12

Decomposition

PmPt Ce CePt

Computed at

2022-02-08 16:40:06.504643

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: agm003373499).

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 agm003373499
data_agm003373499
_cell_length_a     3.99977
_cell_length_b     7.12322
_cell_length_c     12.37191
_cell_angle_alpha  102.82522
_cell_angle_beta   90.00000
_cell_angle_gamma  106.30533
_cell_volume       329.14127
_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 0.65461 0.30922 0.05135 1.00000
  Ce3 Ce 0.73878 0.47755 0.35178 1.00000
  Ce4 Ce 0.26122 0.52245 0.64822 1.00000
  Ce5 Ce 0.34539 0.69078 0.94865 1.00000
  Pm1 Pm 0.03944 0.07888 0.78083 1.00000
  Pm2 Pm 0.96056 0.92112 0.21917 1.00000
  Pt1 Pt 0.11925 0.23850 0.42853 1.00000
  Pt2 Pt 0.70213 0.40426 0.81817 1.00000
  Pt3 Pt 0.29787 0.59574 0.18183 1.00000
  Pt4 Pt 0.88075 0.76150 0.57147 1.00000
  Pt5 Pt 0.00000 0.00000 0.00000 1.00000
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