Navigation

HEAS Data Platform · Materials Science Database

HoCd2(GePt)2

Alexandria ALEX

Alex-ID: agm024111485 · Space group: R-3m (#166)

Basic Information

Formula
HoCd2(GePt)2
Alex-ID
agm024111485
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
138.48
ų
Cell a
4.3220
Å
Cell b
4.3220
Å
Cell c
8.9250
Å
α angle
75.87
°
β angle
104.13
°
γ angle
120.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoCd2(GePt)2
Ho
1.00 · 14.3%
Cd
2.00 · 28.6%
Ge
2.00 · 28.6%
Pt
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0283
eV/atom
Formation energy
-0.6058
eV/atom
Corrected total energy
-32.0773
eV
Raw total energy
-32.0773
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.3156
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_74_spg12

Decomposition

Cd6Pt Ge3Pt2 HoGePt

Computed at

2025-03-04 21:45:02

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: agm024111485).

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 agm024111485
data_agm024111485
_cell_length_a     4.32204
_cell_length_b     4.32204
_cell_length_c     8.92497
_cell_angle_alpha  75.86813
_cell_angle_beta   104.13187
_cell_angle_gamma  120.03608
_cell_volume       138.47804
_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 0.00000 0.00000 0.00000 1.00000
  Cd1 Cd 0.86253 0.13747 0.58678 1.00000
  Cd2 Cd 0.13747 0.86253 0.41322 1.00000
  Ge1 Ge 0.39980 0.60020 0.19997 1.00000
  Ge2 Ge 0.60020 0.39980 0.80003 1.00000
  Pt1 Pt 0.25422 0.74578 0.76149 1.00000
  Pt2 Pt 0.74578 0.25422 0.23851 1.00000
Get direct link