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Tb(ErCd)2

Alexandria ALEX

Alex-ID: agm039982012 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Tb(ErCd)2
Alex-ID
agm039982012
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
136.10
ų
Cell a
10.5736
Å
Cell b
10.5736
Å
Cell c
10.5736
Å
α angle
160.16
°
β angle
160.16
°
γ angle
28.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(ErCd)2
Tb
1.00 · 20.0%
Er
2.00 · 40.0%
Cd
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0291
eV/atom
Formation energy
-0.2277
eV/atom
Corrected total energy
-16.7435
eV
Raw total energy
-16.7435
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0313
eV
DOS at Fermi level
7.1890
Total magnetisation
0.3727
μB

Additional Information

Prototype ID

AB2C2_417_spg65

Decomposition

Er3Cd2 TbEr2Cd3 TbErCd

Computed at

2025-04-14 10:32:48

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: agm039982012).

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 agm039982012
data_agm039982012
_cell_length_a     10.57363
_cell_length_b     10.57363
_cell_length_c     10.57363
_cell_angle_alpha  160.16071
_cell_angle_beta   160.16071
_cell_angle_gamma  28.20084
_cell_volume       136.09722
_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 0.00000 1.00000
  Er1 Er 0.80907 0.80907 0.00000 1.00000
  Er2 Er 0.19093 0.19093 1.00000 1.00000
  Cd1 Cd 0.59632 0.59632 0.00000 1.00000
  Cd2 Cd 0.40368 0.40368 0.00000 1.00000
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