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Ho6Cd3CuOs2

Alexandria ALEX

Alex-ID: agm044167716 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Ho6Cd3CuOs2
Alex-ID
agm044167716
Elements
4
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
277.10
ų
Cell a
7.7141
Å
Cell b
7.7141
Å
Cell c
7.7443
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Cd3CuOs2
Ho
6.00 · 50.0%
Cd
3.00 · 25.0%
Cu
1.00 · 8.3%
Os
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0016
eV/atom
Formation energy
-0.3250
eV/atom
Corrected total energy
-60.7618
eV
Raw total energy
-60.7618
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.7698
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C3D6_176_spg12

Decomposition

Ho6Cd3CuOs2

Computed at

2024-10-03 18:26:31.302505

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: agm044167716).

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 agm044167716
data_agm044167716
_cell_length_a     7.71407
_cell_length_b     7.71407
_cell_length_c     7.74428
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.03759
_cell_volume       277.09798
_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 0.33049 0.66951 0.78750 1.00000
  Ho2 Ho 0.00000 0.00000 0.21430 1.00000
  Ho3 Ho 0.66951 0.33049 0.21250 1.00000
  Ho4 Ho 0.66951 0.33049 0.78750 1.00000
  Ho5 Ho 0.00000 0.00000 0.78570 1.00000
  Ho6 Ho 0.33049 0.66951 0.21250 1.00000
  Cd1 Cd 0.83216 0.16784 0.50000 1.00000
  Cd2 Cd 0.16784 0.83216 0.50000 1.00000
  Cd3 Cd 0.50000 0.50000 0.50000 1.00000
  Cu1 Cu 0.50000 0.50000 0.00000 1.00000
  Os1 Os 0.16434 0.83566 0.00000 1.00000
  Os2 Os 0.83566 0.16434 0.00000 1.00000
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