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EuHo9Os2

Alexandria ALEX

Alex-ID: agm101141010 · Space group: P6/mmm (#191)

Basic Information

Formula
EuHo9Os2
Alex-ID
agm101141010
Elements
3
Sites
12
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
372.37
ų
Cell a
10.3838
Å
Cell b
10.3838
Å
Cell c
3.9878
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
EuHo9Os2
Eu
1.00 · 8.3%
Ho
9.00 · 75.0%
Os
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1172
eV/atom
Formation energy
-0.0668
eV/atom
Corrected total energy
-74.7421
eV
Raw total energy
-74.7421
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.9220
Total magnetisation
-7.9284
μB

Additional Information

Prototype ID

AB2C9_8_spg191

Decomposition

Ho3Os Eu Ho

Computed at

2025-05-19 11:52:02

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: agm101141010).

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 agm101141010
data_agm101141010
_cell_length_a     10.38381
_cell_length_b     10.38381
_cell_length_c     3.98778
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       372.37061
_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
  Eu1 Eu 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.21549 0.78451 0.50000 1.00000
  Ho2 Ho 0.00000 0.50000 0.00000 1.00000
  Ho3 Ho 0.50000 0.50000 0.00000 1.00000
  Ho4 Ho 0.21549 0.43099 0.50000 1.00000
  Ho5 Ho 0.78451 0.21549 0.50000 1.00000
  Ho6 Ho 0.43099 0.21549 0.50000 1.00000
  Ho7 Ho 0.78451 0.56901 0.50000 1.00000
  Ho8 Ho 0.50000 0.00000 0.00000 1.00000
  Ho9 Ho 0.56901 0.78451 0.50000 1.00000
  Os1 Os 0.33333 0.66667 0.00000 1.00000
  Os2 Os 0.66667 0.33333 0.00000 1.00000
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