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LaPm(HoCd2)2

Alexandria ALEX

Alex-ID: agm034937005 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
LaPm(HoCd2)2
Alex-ID
agm034937005
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
221.34
ų
Cell a
9.3239
Å
Cell b
9.3239
Å
Cell c
9.3239
Å
α angle
33.62
°
β angle
33.62
°
γ angle
33.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaPm(HoCd2)2
La
1.00 · 12.5%
Pm
1.00 · 12.5%
Ho
2.00 · 25.0%
Cd
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0152
eV/atom
Formation energy
-0.3008
eV/atom
Corrected total energy
-24.9354
eV
Raw total energy
-24.9354
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0383
eV
DOS at Fermi level
11.1001
Total magnetisation
0.9693
μB

Additional Information

Prototype ID

ABC2D4_43_spg5

Decomposition

PmCd LaCd HoCd

Computed at

2025-06-30 20:52:38

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: agm034937005).

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 agm034937005
data_agm034937005
_cell_length_a     9.32390
_cell_length_b     9.32390
_cell_length_c     9.32390
_cell_angle_alpha  33.61828
_cell_angle_beta   33.61828
_cell_angle_gamma  33.61828
_cell_volume       221.34065
_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 0.00000 0.00000 0.00000 1.00000
  Pm1 Pm 0.50000 0.50000 0.50000 1.00000
  Ho1 Ho 0.24934 0.24934 0.24934 1.00000
  Ho2 Ho 0.75066 0.75066 0.75066 1.00000
  Cd1 Cd 0.62342 0.62342 0.62342 1.00000
  Cd2 Cd 0.12615 0.12615 0.12615 1.00000
  Cd3 Cd 0.87385 0.87385 0.87385 1.00000
  Cd4 Cd 0.37658 0.37658 0.37658 1.00000
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