Navigation

HEAS Data Platform · Materials Science Database

Tb2CdCo

Alexandria ALEX

Alex-ID: agm082248917 · Space group: C2/m (#12)

Basic Information

Formula
Tb2CdCo
Alex-ID
agm082248917
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
194.36
ų
Cell a
5.1805
Å
Cell b
5.1805
Å
Cell c
7.4869
Å
α angle
79.60
°
β angle
100.40
°
γ angle
91.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2CdCo
Tb
4.00 · 50.0%
Cd
2.00 · 25.0%
Co
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0506
eV/atom
Formation energy
-0.2101
eV/atom
Corrected total energy
-36.3046
eV
Raw total energy
-36.3046
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0163
eV
DOS at Fermi level
6.3782
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

ABC2_8847_spg2

Decomposition

Tb2CdCo2 TbCd Tb4CdCo

Computed at

2025-02-23 05:21:23

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: agm082248917).

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 agm082248917
data_agm082248917
_cell_length_a     5.18047
_cell_length_b     5.18047
_cell_length_c     7.48690
_cell_angle_alpha  79.59811
_cell_angle_beta   100.40189
_cell_angle_gamma  91.03052
_cell_volume       194.35578
_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 0.17712 0.32308 0.21873 1.00000
  Tb2 Tb 0.82288 0.67692 0.78127 1.00000
  Tb3 Tb 0.32308 0.17712 0.78127 1.00000
  Tb4 Tb 0.67692 0.82288 0.21873 1.00000
  Cd1 Cd 0.75223 0.24777 0.50900 1.00000
  Cd2 Cd 0.24777 0.75223 0.49100 1.00000
  Co1 Co 0.85165 0.14835 0.90648 1.00000
  Co2 Co 0.14835 0.85165 0.09352 1.00000
Get direct link