Navigation

HEAS Data Platform · Materials Science Database

Tb8Os2Ru

Alexandria ALEX

Alex-ID: agm006014619 · Space group: C2/m (#12)

Basic Information

Formula
Tb8Os2Ru
Alex-ID
agm006014619
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
290.39
ų
Cell a
5.8180
Å
Cell b
7.6073
Å
Cell c
7.6073
Å
α angle
113.34
°
β angle
100.86
°
γ angle
100.86
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Os2Ru
Tb
8.00 · 72.7%
Os
2.00 · 18.2%
Ru
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1124
eV/atom
Formation energy
-0.1618
eV/atom
Corrected total energy
-70.5737
eV
Raw total energy
-70.5736
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0177
eV
DOS at Fermi level
6.8048
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_281_spg12

Decomposition

Tb3Os Tb5Os2 Tb5Ru2

Computed at

2023-09-29 21:48:24

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: agm006014619).

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 agm006014619
data_agm006014619
_cell_length_a     5.81798
_cell_length_b     7.60732
_cell_length_c     7.60732
_cell_angle_alpha  113.34169
_cell_angle_beta   100.86287
_cell_angle_gamma  100.86288
_cell_volume       290.38540
_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
  Tb1 Tb 0.59888 0.33823 0.08071 1.00000
  Tb2 Tb 0.59888 0.08071 0.33823 1.00000
  Tb3 Tb 0.19377 0.36234 0.36234 1.00000
  Tb4 Tb 0.99910 0.21319 0.79207 1.00000
  Tb5 Tb 0.99910 0.79207 0.21319 1.00000
  Tb6 Tb 0.80555 0.64443 0.64443 1.00000
  Tb7 Tb 0.39873 0.92519 0.66728 1.00000
  Tb8 Tb 0.39873 0.66728 0.92519 1.00000
  Os1 Os 0.50025 0.69526 0.31159 1.00000
  Os2 Os 0.50025 0.31159 0.69526 1.00000
  Ru1 Ru 0.00642 0.00364 0.00364 1.00000
Get direct link