Navigation

HEAS Data Platform · Materials Science Database

Ho2Cd2Pb

Alexandria ALEX

Alex-ID: agm005887366 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Cd2Pb
Alex-ID
agm005887366
Elements
3
Sites
5
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
142.84
ų
Cell a
8.0867
Å
Cell b
8.0867
Å
Cell c
6.1170
Å
α angle
44.72
°
β angle
44.72
°
γ angle
32.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Cd2Pb
Ho
2.00 · 40.0%
Cd
2.00 · 40.0%
Pb
1.00 · 20.0%

Energy & Stability

Energy above hull
0.2083
eV/atom
Formation energy
-0.1783
eV/atom
Corrected total energy
-15.6041
eV
Raw total energy
-15.6041
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0931
eV
DOS at Fermi level
3.0173
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_196_spg12

Decomposition

HoCd2 HoCd3 Ho5Pb4

Computed at

2023-08-03 12:14:36.253687

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: agm005887366).

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 agm005887366
data_agm005887366
_cell_length_a     8.08673
_cell_length_b     8.08673
_cell_length_c     6.11701
_cell_angle_alpha  44.72458
_cell_angle_beta   44.72455
_cell_angle_gamma  32.01672
_cell_volume       142.84114
_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
  Ho1 Ho 0.69892 0.69892 0.81066 1.00000
  Ho2 Ho 0.30108 0.30108 0.18934 1.00000
  Cd1 Cd 0.40353 0.40354 0.51304 1.00000
  Cd2 Cd 0.59647 0.59646 0.48696 1.00000
  Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Get direct link