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La8Pm3Cd

Alexandria ALEX

Alex-ID: agm006006367 · Space group: Cm (#8)

Basic Information

Formula
La8Pm3Cd
Alex-ID
agm006006367
Elements
3
Sites
12
Space group
Cm (#8)
Crystal system
monoclinic
Volume
417.51
ų
Cell a
5.2222
Å
Cell b
10.2712
Å
Cell c
9.6758
Å
α angle
58.05
°
β angle
105.65
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8Pm3Cd
La
8.00 · 66.7%
Pm
3.00 · 25.0%
Cd
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0399
eV/atom
Formation energy
-0.0192
eV/atom
Corrected total energy
-54.8248
eV
Raw total energy
-54.8248
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.8751
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C8_286_spg8

Decomposition

La7Pm LaPm LaCd

Computed at

2023-09-08 03:48:24.284343

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: agm006006367).

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 agm006006367
data_agm006006367
_cell_length_a     5.22217
_cell_length_b     10.27122
_cell_length_c     9.67580
_cell_angle_alpha  58.05241
_cell_angle_beta   105.65470
_cell_angle_gamma  89.99622
_cell_volume       417.51358
_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
  La1 La 0.41337 0.70448 0.82674 1.00000
  La2 La 0.24905 0.12242 0.49806 1.00000
  La3 La 0.91321 0.96218 0.82641 1.00000
  La4 La 0.08862 0.54354 0.17726 1.00000
  La5 La 0.92078 0.45008 0.84156 1.00000
  La6 La 0.08716 0.02504 0.17430 1.00000
  La7 La 0.58413 0.29049 0.16826 1.00000
  La8 La 0.74957 0.86791 0.49917 1.00000
  Pm1 Pm 0.41241 0.21423 0.82482 1.00000
  Pm2 Pm 0.75000 0.37900 0.50004 1.00000
  Pm3 Pm 0.57844 0.79425 0.15687 1.00000
  Cd1 Cd 0.25154 0.61606 0.50308 1.00000
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