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TbCe2TmBi4

Alexandria ALEX

Alex-ID: agm030103476 · Space group: I-4m2 (#119)

Alexandria Database API

Basic Information

Formula
TbCe2TmBi4
Alex-ID
agm030103476
Elements
4
Sites
8
Space group
I-4m2 (#119)
Crystal system
tetragonal
Volume
263.75
ų
Cell a
7.8494
Å
Cell b
7.8494
Å
Cell c
7.8494
Å
α angle
131.75
°
β angle
131.75
°
γ angle
70.63
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbCe2TmBi4
Tb
1.00 · 12.5%
Ce
2.00 · 25.0%
Tm
1.00 · 12.5%
Bi
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0098
eV/atom
Formation energy
-0.8026
eV/atom
Corrected total energy
-42.9160
eV
Raw total energy
-42.9160
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0090
eV
DOS at Fermi level
13.1074
Total magnetisation
1.6653
μB

Additional Information

Prototype ID

ABC2D4_40_spg121

Decomposition

TbTm3Bi4 CeBi TbCeBi2

Computed at

2025-03-18 10:23:02

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: agm030103476).

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 agm030103476
data_agm030103476
_cell_length_a     7.84941
_cell_length_b     7.84941
_cell_length_c     7.84941
_cell_angle_alpha  131.74630
_cell_angle_beta   131.74630
_cell_angle_gamma  70.63002
_cell_volume       263.74702
_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 0.50000 0.00000 1.00000
  Ce1 Ce 0.25000 0.75000 0.50000 1.00000
  Ce2 Ce 0.00000 0.00000 0.00000 1.00000
  Tm1 Tm 0.75000 0.25000 0.50000 1.00000
  Bi1 Bi 0.99656 0.49656 0.50000 1.00000
  Bi2 Bi 0.50344 0.00344 0.50000 1.00000
  Bi3 Bi 0.74838 0.74838 0.00000 1.00000
  Bi4 Bi 0.25162 0.25162 0.00000 1.00000
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