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Ho3SbOs

Alexandria ALEX

Alex-ID: agm003733124 · Space group: C2/m (#12)

Basic Information

Formula
Ho3SbOs
Alex-ID
agm003733124
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
267.82
ų
Cell a
4.9148
Å
Cell b
7.8438
Å
Cell c
8.6616
Å
α angle
120.56
°
β angle
90.00
°
γ angle
108.26
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3SbOs
Ho
6.00 · 60.0%
Sb
2.00 · 20.0%
Os
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1440
eV/atom
Formation energy
-0.5215
eV/atom
Corrected total energy
-63.3904
eV
Raw total energy
-63.3904
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0629
eV
DOS at Fermi level
5.0362
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_6618_spg2

Decomposition

Ho5Sb2Os Ho5Os2 HoOs2

Computed at

2022-05-01 19:28:57.828790

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: agm003733124).

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 agm003733124
data_agm003733124
_cell_length_a     4.91479
_cell_length_b     7.84376
_cell_length_c     8.66162
_cell_angle_alpha  120.56172
_cell_angle_beta   90.00000
_cell_angle_gamma  108.25780
_cell_volume       267.81739
_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 0.92818 0.85637 0.78053 1.00000
  Ho2 Ho 0.07182 0.14363 0.21947 1.00000
  Ho3 Ho 0.59772 0.19545 0.79907 1.00000
  Ho4 Ho 0.40228 0.80455 0.20093 1.00000
  Ho5 Ho 0.75125 0.50251 0.23745 1.00000
  Ho6 Ho 0.24875 0.49749 0.76255 1.00000
  Sb1 Sb 0.35368 0.70736 0.51084 1.00000
  Sb2 Sb 0.64632 0.29264 0.48916 1.00000
  Os1 Os 0.16675 0.33350 0.00300 1.00000
  Os2 Os 0.83325 0.66650 0.99700 1.00000
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