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Tb4GeRu2

Alexandria ALEX

Alex-ID: agm003457465 · Space group: P-1 (#2)

Basic Information

Formula
Tb4GeRu2
Alex-ID
agm003457465
Elements
3
Sites
14
Space group
P-1 (#2)
Crystal system
triclinic
Volume
331.01
ų
Cell a
8.3605
Å
Cell b
7.4283
Å
Cell c
8.5688
Å
α angle
108.94
°
β angle
118.00
°
γ angle
113.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4GeRu2
Tb
8.00 · 57.1%
Ge
2.00 · 14.3%
Ru
4.00 · 28.6%

Energy & Stability

Energy above hull
0.1024
eV/atom
Formation energy
-0.4194
eV/atom
Corrected total energy
-89.2681
eV
Raw total energy
-89.2681
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0028
eV
DOS at Fermi level
8.0168
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_1254_spg2

Decomposition

Tb5Ge2Ru Tb2Ru Tb3(GeRu)2

Computed at

2022-02-17 18:14:56.541913

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: agm003457465).

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 agm003457465
data_agm003457465
_cell_length_a     8.36052
_cell_length_b     7.42831
_cell_length_c     8.56876
_cell_angle_alpha  108.93718
_cell_angle_beta   117.99698
_cell_angle_gamma  113.89031
_cell_volume       331.01423
_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 0.18891 0.33107 0.47486 1.00000
  Tb2 Tb 0.47579 0.59551 0.32805 1.00000
  Tb3 Tb 0.89956 0.49529 0.58301 1.00000
  Tb4 Tb 0.84682 0.20464 0.81089 1.00000
  Tb5 Tb 0.28882 0.92194 0.18372 1.00000
  Tb6 Tb 0.13620 0.04048 0.70278 1.00000
  Tb7 Tb 0.55991 0.94016 0.95761 1.00000
  Tb8 Tb 0.74689 0.61378 0.10197 1.00000
  Ge1 Ge 0.24928 0.77555 0.47215 1.00000
  Ge2 Ge 0.78631 0.76011 0.81352 1.00000
  Ru1 Ru 0.51784 0.26783 0.64282 1.00000
  Ru2 Ru 0.76395 0.01801 0.38571 1.00000
  Ru3 Ru 0.51793 0.26792 0.14288 1.00000
  Ru4 Ru 0.27179 0.51770 0.90005 1.00000
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