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Tb6Co2Os

Alexandria ALEX

Alex-ID: agm005706405 · Space group: Immm (#71)

Basic Information

Formula
Tb6Co2Os
Alex-ID
agm005706405
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
421.29
ų
Cell a
8.1807
Å
Cell b
8.1807
Å
Cell c
8.1807
Å
α angle
108.21
°
β angle
109.83
°
γ angle
110.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb6Co2Os
Tb
12.00 · 66.7%
Co
4.00 · 22.2%
Os
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0431
eV/atom
Formation energy
-0.1569
eV/atom
Corrected total energy
-109.3667
eV
Raw total energy
-109.3667
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0070
eV
DOS at Fermi level
16.6822
Total magnetisation
-0.0005
μB

Additional Information

Prototype ID

AB2C6_730_spg71

Decomposition

TbCo Tb5Co2 Tb5Os2

Computed at

2023-07-06 21:34:14.176749

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: agm005706405).

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 agm005706405
data_agm005706405
_cell_length_a     8.18069
_cell_length_b     8.18069
_cell_length_c     8.18069
_cell_angle_alpha  108.20696
_cell_angle_beta   109.82729
_cell_angle_gamma  110.38727
_cell_volume       421.28775
_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 0.56243 0.73828 0.82415 1.00000
  Tb2 Tb 0.43757 0.26172 0.17585 1.00000
  Tb3 Tb 0.08587 0.26172 0.82415 1.00000
  Tb4 Tb 0.91413 0.73828 0.17585 1.00000
  Tb5 Tb 0.81575 0.74101 0.55676 1.00000
  Tb6 Tb 0.18425 0.25899 0.44324 1.00000
  Tb7 Tb 0.18425 0.74101 0.92526 1.00000
  Tb8 Tb 0.81575 0.25899 0.07474 1.00000
  Tb9 Tb 0.68719 0.35836 0.67118 1.00000
  Tb10 Tb 0.31281 0.64164 0.32882 1.00000
  Tb11 Tb 0.31281 0.98399 0.67118 1.00000
  Tb12 Tb 0.68719 0.01601 0.32882 1.00000
  Co1 Co 0.50000 0.38664 0.88664 1.00000
  Co2 Co 0.50000 0.61336 0.11336 1.00000
  Co3 Co 0.66470 0.00000 0.66470 1.00000
  Co4 Co 0.33530 1.00000 0.33530 1.00000
  Os1 Os 0.00000 0.50000 0.50000 1.00000
  Os2 Os 0.00000 0.00000 0.00000 1.00000
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