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Tb5Sm4

Alexandria ALEX

Alex-ID: agm005536770 · Space group: Immm (#71)

Basic Information

Formula
Tb5Sm4
Alex-ID
agm005536770
Elements
2
Sites
9
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
295.24
ų
Cell a
3.6608
Å
Cell b
9.1779
Å
Cell c
9.1779
Å
α angle
92.05
°
β angle
78.52
°
γ angle
78.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Sm4
Tb
5.00 · 55.6%
Sm
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0387
eV/atom
Formation energy
0.0359
eV/atom
Corrected total energy
-41.7322
eV
Raw total energy
-41.7322
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.2818
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_125_spg71

Decomposition

Tb2Sm Sm

Computed at

2023-05-28 08:13:14.774647

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: agm005536770).

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 agm005536770
data_agm005536770
_cell_length_a     3.66078
_cell_length_b     9.17793
_cell_length_c     9.17793
_cell_angle_alpha  92.04658
_cell_angle_beta   78.52205
_cell_angle_gamma  78.52205
_cell_volume       295.24148
_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 0.00000 0.04115 0.95885 1.00000
  Tb2 Tb 1.00000 0.29219 0.70781 1.00000
  Tb3 Tb 0.00000 0.66667 0.33333 1.00000
  Tb4 Tb 0.29417 0.37252 0.03919 1.00000
  Tb5 Tb 0.70583 0.96081 0.62748 1.00000
  Sm1 Sm 0.35696 0.62078 0.66570 1.00000
  Sm2 Sm 0.35696 0.99903 0.28744 1.00000
  Sm3 Sm 0.64304 0.71256 0.00097 1.00000
  Sm4 Sm 0.64304 0.33430 0.37922 1.00000
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