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Tb4Sn(Ge2Rh)2

Alexandria ALEX

Alex-ID: agm020145960 · Space group: C2/m (#12)

Basic Information

Formula
Tb4Sn(Ge2Rh)2
Alex-ID
agm020145960
Elements
4
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
230.65
ų
Cell a
8.2142
Å
Cell b
8.2142
Å
Cell c
7.1105
Å
α angle
72.87
°
β angle
107.13
°
γ angle
149.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Sn(Ge2Rh)2
Tb
4.00 · 36.4%
Sn
1.00 · 9.1%
Ge
4.00 · 36.4%
Rh
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8927
eV/atom
Corrected total energy
-65.5240
eV
Raw total energy
-65.5240
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0323
eV
DOS at Fermi level
6.0320
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4D4_13_spg12

Decomposition

Tb4Sn(Ge2Rh)2

Computed at

2024-12-27 07:23:18

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: agm020145960).

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 agm020145960
data_agm020145960
_cell_length_a     8.21417
_cell_length_b     8.21417
_cell_length_c     7.11054
_cell_angle_alpha  72.86906
_cell_angle_beta   107.13094
_cell_angle_gamma  149.67898
_cell_volume       230.65319
_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 0.65529 0.34471 0.93057 1.00000
  Tb2 Tb 0.34471 0.65529 0.06943 1.00000
  Tb3 Tb 0.58566 0.41434 0.37823 1.00000
  Tb4 Tb 0.41434 0.58566 0.62177 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.93414 0.06586 0.34445 1.00000
  Ge2 Ge 0.06586 0.93414 0.65555 1.00000
  Ge3 Ge 0.79817 0.20183 0.74662 1.00000
  Ge4 Ge 0.20183 0.79817 0.25338 1.00000
  Rh1 Rh 0.78093 0.21907 0.37868 1.00000
  Rh2 Rh 0.21907 0.78093 0.62132 1.00000
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