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Ho8Cd3Os4

Alexandria ALEX

Alex-ID: agm061104606 · Space group: P4/mmm (#123)

Basic Information

Formula
Ho8Cd3Os4
Alex-ID
agm061104606
Elements
3
Sites
15
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
360.55
ų
Cell a
6.8380
Å
Cell b
6.8380
Å
Cell c
7.7108
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Cd3Os4
Ho
8.00 · 53.3%
Cd
3.00 · 20.0%
Os
4.00 · 26.7%

Energy & Stability

Energy above hull
0.0483
eV/atom
Formation energy
-0.2744
eV/atom
Corrected total energy
-88.4334
eV
Raw total energy
-88.4334
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.0581
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C8_173_spg123

Decomposition

Ho5Os2 Ho6Cd5Os HoOs2

Computed at

2024-12-05 00:21:58

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: agm061104606).

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 agm061104606
data_agm061104606
_cell_length_a     6.83804
_cell_length_b     6.83804
_cell_length_c     7.71082
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       360.54893
_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 0.75069 0.75069 0.28619 1.00000
  Ho2 Ho 0.24931 0.24931 0.71381 1.00000
  Ho3 Ho 0.24931 0.24931 0.28619 1.00000
  Ho4 Ho 0.75069 0.75069 0.71381 1.00000
  Ho5 Ho 0.24931 0.75069 0.28619 1.00000
  Ho6 Ho 0.75069 0.24931 0.71381 1.00000
  Ho7 Ho 0.75069 0.24931 0.28619 1.00000
  Ho8 Ho 0.24931 0.75069 0.71381 1.00000
  Cd1 Cd 0.50000 0.50000 0.00000 1.00000
  Cd2 Cd 0.50000 0.00000 0.00000 1.00000
  Cd3 Cd 0.00000 0.50000 0.00000 1.00000
  Os1 Os 0.00000 0.00000 0.50000 1.00000
  Os2 Os 0.00000 0.50000 0.50000 1.00000
  Os3 Os 0.50000 0.00000 0.50000 1.00000
  Os4 Os 0.50000 0.50000 0.50000 1.00000
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