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Tb2Cd3Ag2

Alexandria ALEX

Alex-ID: agm003306830 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Tb2Cd3Ag2
Alex-ID
agm003306830
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
165.37
ų
Cell a
3.4217
Å
Cell b
4.6515
Å
Cell c
10.6475
Å
α angle
102.62
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Cd3Ag2
Tb
2.00 · 28.6%
Cd
3.00 · 42.9%
Ag
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0877
eV/atom
Formation energy
-0.2137
eV/atom
Corrected total energy
-19.2338
eV
Raw total energy
-19.2338
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0041
eV
DOS at Fermi level
4.4064
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

A2B2C3_6_spg65

Decomposition

TbCdAg TbCd2Ag

Computed at

2022-01-18 17:31:37.148969

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: agm003306830).

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 agm003306830
data_agm003306830
_cell_length_a     3.42172
_cell_length_b     4.65145
_cell_length_c     10.64748
_cell_angle_alpha  102.61682
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       165.37296
_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 0.83977 0.67954 1.00000
  Tb2 Tb 0.00000 0.16023 0.32046 1.00000
  Cd1 Cd 0.50000 0.57253 0.14506 1.00000
  Cd2 Cd 0.50000 0.42747 0.85494 1.00000
  Cd3 Cd 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.50000 0.71189 0.42378 1.00000
  Ag2 Ag 0.50000 0.28811 0.57622 1.00000
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