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HoCdGe

Alexandria ALEX

Alex-ID: agm005672950 · Space group: C2/m (#12)

Basic Information

Formula
HoCdGe
Alex-ID
agm005672950
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
134.04
ų
Cell a
4.2841
Å
Cell b
5.7541
Å
Cell c
6.3581
Å
α angle
72.25
°
β angle
70.31
°
γ angle
68.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoCdGe
Ho
2.00 · 33.3%
Cd
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0826
eV/atom
Formation energy
-0.5123
eV/atom
Corrected total energy
-23.3125
eV
Raw total energy
-23.3125
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1900
eV
DOS at Fermi level
2.6915
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_75_spg12

Decomposition

Ho2CdGe2 Cd

Computed at

2023-06-17 11:05:33.640774

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: agm005672950).

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 agm005672950
data_agm005672950
_cell_length_a     4.28412
_cell_length_b     5.75405
_cell_length_c     6.35812
_cell_angle_alpha  72.24513
_cell_angle_beta   70.31176
_cell_angle_gamma  68.14431
_cell_volume       134.04344
_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 0.43221 0.30809 0.82750 1.00000
  Ho2 Ho 0.56779 0.69191 0.17250 1.00000
  Cd1 Cd 0.83969 0.74554 0.57507 1.00000
  Cd2 Cd 0.16031 0.25446 0.42493 1.00000
  Ge1 Ge 0.84852 0.13169 0.17127 1.00000
  Ge2 Ge 0.15148 0.86831 0.82873 1.00000
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