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La2Tb4Cd

Alexandria ALEX

Alex-ID: agm017882159 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
La2Tb4Cd
Alex-ID
agm017882159
Elements
3
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
226.53
ų
Cell a
17.3209
Å
Cell b
17.3209
Å
Cell c
17.3209
Å
α angle
167.95
°
β angle
167.95
°
γ angle
17.08
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Tb4Cd
La
2.00 · 28.6%
Tb
4.00 · 57.1%
Cd
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0320
eV/atom
Formation energy
-0.0641
eV/atom
Corrected total energy
-29.7562
eV
Raw total energy
-29.7562
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0121
eV
DOS at Fermi level
9.0312
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

AB2C4_2510_spg71

Decomposition

Tb2Cd La3Tb5 LaCd

Computed at

2025-05-01 18:38:38

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: agm017882159).

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 agm017882159
data_agm017882159
_cell_length_a     17.32087
_cell_length_b     17.32087
_cell_length_c     17.32087
_cell_angle_alpha  167.94813
_cell_angle_beta   167.94813
_cell_angle_gamma  17.07564
_cell_volume       226.53298
_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
  La1 La 0.06549 0.06549 1.00000 1.00000
  La2 La 0.93451 0.93451 0.00000 1.00000
  Tb1 Tb 0.21417 0.21417 0.00000 1.00000
  Tb2 Tb 0.78583 0.78583 0.00000 1.00000
  Tb3 Tb 0.35754 0.35754 0.00000 1.00000
  Tb4 Tb 0.64246 0.64246 0.00000 1.00000
  Cd1 Cd 0.50000 0.50000 0.00000 1.00000
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