Navigation

HEAS Data Platform · Materials Science Database

Tb2CdSn3

Alexandria ALEX

Alex-ID: agm030896983 · Space group: Cmmm (#65)

Basic Information

Formula
Tb2CdSn3
Alex-ID
agm030896983
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
154.63
ų
Cell a
4.6251
Å
Cell b
4.4686
Å
Cell c
7.8377
Å
α angle
90.00
°
β angle
107.33
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2CdSn3
Tb
2.00 · 33.3%
Cd
1.00 · 16.7%
Sn
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0093
eV/atom
Formation energy
-0.5606
eV/atom
Corrected total energy
-25.5604
eV
Raw total energy
-25.5604
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0336
eV
DOS at Fermi level
2.6322
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_1938_spg65

Decomposition

TbCd2Sn TbSn2 TbSn

Computed at

2025-04-15 04:41:24

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: agm030896983).

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 agm030896983
data_agm030896983
_cell_length_a     4.62515
_cell_length_b     4.46857
_cell_length_c     7.83771
_cell_angle_alpha  90.00000
_cell_angle_beta   107.33395
_cell_angle_gamma  90.00000
_cell_volume       154.63144
_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 0.35033 0.00000 0.70046 1.00000
  Tb2 Tb 0.64967 0.00000 0.29954 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Sn1 Sn 0.82615 0.50000 0.65173 1.00000
  Sn2 Sn 0.50000 0.50000 0.00000 1.00000
  Sn3 Sn 0.17385 0.50000 0.34827 1.00000
Get direct link