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Tb5Mg2OsRu2

Alexandria ALEX

Alex-ID: agm005135017 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Tb5Mg2OsRu2
Alex-ID
agm005135017
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
482.69
ų
Cell a
3.5000
Å
Cell b
11.7435
Å
Cell c
11.7435
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Mg2OsRu2
Tb
10.00 · 50.0%
Mg
4.00 · 20.0%
Os
2.00 · 10.0%
Ru
4.00 · 20.0%

Energy & Stability

Energy above hull
0.1160
eV/atom
Formation energy
-0.1641
eV/atom
Corrected total energy
-115.5462
eV
Raw total energy
-115.5462
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.4375
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_49_spg127

Decomposition

Tb2Mg2Ru Tb5Ru2 TbOs2

Computed at

2022-07-14 22:57:56.352882

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: agm005135017).

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 agm005135017
data_agm005135017
_cell_length_a     3.50005
_cell_length_b     11.74347
_cell_length_c     11.74347
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       482.68802
_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 0.50000 0.19677 0.05518 1.00000
  Tb2 Tb 0.50000 0.80323 0.94482 1.00000
  Tb3 Tb 0.50000 0.05518 0.80323 1.00000
  Tb4 Tb 0.50000 0.69677 0.44482 1.00000
  Tb5 Tb 0.50000 0.94482 0.19677 1.00000
  Tb6 Tb 0.50000 0.30323 0.55518 1.00000
  Tb7 Tb 0.50000 0.55518 0.69677 1.00000
  Tb8 Tb 0.50000 0.44482 0.30323 1.00000
  Tb9 Tb 0.50000 0.50000 0.00000 1.00000
  Tb10 Tb 0.50000 0.00000 0.50000 1.00000
  Mg1 Mg 0.00000 0.69048 0.19048 1.00000
  Mg2 Mg 0.00000 0.30952 0.80952 1.00000
  Mg3 Mg 0.00000 0.19048 0.30952 1.00000
  Mg4 Mg 0.00000 0.80952 0.69048 1.00000
  Os1 Os 0.00000 0.00000 0.00000 1.00000
  Os2 Os 0.00000 0.50000 0.50000 1.00000
  Ru1 Ru 0.00000 0.13472 0.63472 1.00000
  Ru2 Ru 0.00000 0.86528 0.36528 1.00000
  Ru3 Ru 0.00000 0.63472 0.86528 1.00000
  Ru4 Ru 0.00000 0.36528 0.13472 1.00000
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