Navigation

HEAS Data Platform · Materials Science Database

Tb12Co2Bi5

Alexandria ALEX

Alex-ID: agm003371940 · Space group: C2/m (#12)

Basic Information

Formula
Tb12Co2Bi5
Alex-ID
agm003371940
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
618.10
ų
Cell a
7.5864
Å
Cell b
9.6299
Å
Cell c
9.5969
Å
α angle
105.07
°
β angle
90.00
°
γ angle
113.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb12Co2Bi5
Tb
12.00 · 63.2%
Co
2.00 · 10.5%
Bi
5.00 · 26.3%

Energy & Stability

Energy above hull
0.2015
eV/atom
Formation energy
-0.3672
eV/atom
Corrected total energy
-96.2162
eV
Raw total energy
-96.2162
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.8992
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B5C12_4_spg12

Decomposition

Tb5Bi3 Tb5CoBi2 Tb

Computed at

2022-02-06 17:28:03.558286

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: agm003371940).

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 agm003371940
data_agm003371940
_cell_length_a     7.58640
_cell_length_b     9.62991
_cell_length_c     9.59693
_cell_angle_alpha  105.07492
_cell_angle_beta   90.00000
_cell_angle_gamma  113.19725
_cell_volume       618.09800
_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 0.99956 0.99912 0.16839 1.00000
  Tb2 Tb 0.10656 0.69759 0.92289 1.00000
  Tb3 Tb 0.59104 0.69759 0.92289 1.00000
  Tb4 Tb 0.12023 0.71969 0.44339 1.00000
  Tb5 Tb 0.59946 0.71969 0.44339 1.00000
  Tb6 Tb 0.49694 0.99388 0.77345 1.00000
  Tb7 Tb 0.50306 0.00612 0.22655 1.00000
  Tb8 Tb 0.87977 0.28031 0.55661 1.00000
  Tb9 Tb 0.40054 0.28031 0.55661 1.00000
  Tb10 Tb 0.89344 0.30241 0.07711 1.00000
  Tb11 Tb 0.40896 0.30241 0.07711 1.00000
  Tb12 Tb 0.00044 0.00088 0.83161 1.00000
  Co1 Co 0.70918 0.00000 0.00000 1.00000
  Co2 Co 0.29082 1.00000 1.00000 1.00000
  Bi1 Bi 0.28613 0.57225 0.63793 1.00000
  Bi2 Bi 0.30421 0.60842 0.16724 1.00000
  Bi3 Bi 0.00000 0.00000 0.50000 1.00000
  Bi4 Bi 0.69579 0.39158 0.83276 1.00000
  Bi5 Bi 0.71387 0.42775 0.36207 1.00000
Get direct link