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TbCe(DyBi2)2

Alexandria ALEX

Alex-ID: agm077739232 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
TbCe(DyBi2)2
Alex-ID
agm077739232
Elements
4
Sites
8
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
259.97
ų
Cell a
7.8130
Å
Cell b
7.8130
Å
Cell c
4.5162
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbCe(DyBi2)2
Tb
1.00 · 12.5%
Ce
1.00 · 12.5%
Dy
2.00 · 25.0%
Bi
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0053
eV/atom
Formation energy
-0.8453
eV/atom
Corrected total energy
-42.0601
eV
Raw total energy
-42.0601
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
7.0159
Total magnetisation
0.7885
μB

Additional Information

Prototype ID

ABC2D4_222_spg10

Decomposition

TbDy3Bi4 Tb3DyBi4 CeBi

Computed at

2025-01-09 01:42:03

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: agm077739232).

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 agm077739232
data_agm077739232
_cell_length_a     7.81299
_cell_length_b     7.81299
_cell_length_c     4.51617
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.43642
_cell_volume       259.96913
_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 0.00000 0.50000 1.00000
  Ce1 Ce 0.50000 0.50000 0.50000 1.00000
  Dy1 Dy 0.00000 0.50000 0.00000 1.00000
  Dy2 Dy 0.50000 0.00000 0.00000 1.00000
  Bi1 Bi 0.24642 0.24642 0.00000 1.00000
  Bi2 Bi 0.75358 0.75358 0.00000 1.00000
  Bi3 Bi 0.24842 0.75158 0.50000 1.00000
  Bi4 Bi 0.75158 0.24842 0.50000 1.00000
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