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Ho7Cd2

Alexandria ALEX

Alex-ID: agm009869676 · Space group: C2/m (#12)

Basic Information

Formula
Ho7Cd2
Alex-ID
agm009869676
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
260.26
ų
Cell a
6.5434
Å
Cell b
6.5434
Å
Cell c
11.7931
Å
α angle
72.00
°
β angle
72.00
°
γ angle
32.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7Cd2
Ho
7.00 · 77.8%
Cd
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0194
eV/atom
Formation energy
-0.1251
eV/atom
Corrected total energy
-35.0225
eV
Raw total energy
-35.0225
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.4839
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_128_spg12

Decomposition

Ho2Cd Ho

Computed at

2024-05-03 15:53:51.657636

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: agm009869676).

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 agm009869676
data_agm009869676
_cell_length_a     6.54336
_cell_length_b     6.54336
_cell_length_c     11.79314
_cell_angle_alpha  71.99543
_cell_angle_beta   71.99543
_cell_angle_gamma  32.99066
_cell_volume       260.25833
_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 0.68714 0.68714 0.91650 1.00000
  Ho2 Ho 0.31286 0.31286 0.08350 1.00000
  Ho3 Ho 0.31481 0.31481 0.37716 1.00000
  Ho4 Ho 0.68519 0.68519 0.62284 1.00000
  Ho5 Ho 0.00000 0.00000 0.50000 1.00000
  Ho6 Ho 0.01498 0.01498 0.16120 1.00000
  Ho7 Ho 0.98502 0.98502 0.83880 1.00000
  Cd1 Cd 0.35374 0.35374 0.70816 1.00000
  Cd2 Cd 0.64626 0.64626 0.29184 1.00000
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