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TbDyCd

Alexandria ALEX

Alex-ID: agm017170964 · Space group: Cmcm (#63)

Alexandria Database API

Basic Information

Formula
TbDyCd
Alex-ID
agm017170964
Elements
3
Sites
6
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
169.17
ų
Cell a
8.6574
Å
Cell b
8.6574
Å
Cell c
5.4029
Å
α angle
90.00
°
β angle
90.00
°
γ angle
155.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbDyCd
Tb
2.00 · 33.3%
Dy
2.00 · 33.3%
Cd
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2188
eV/atom
Corrected total energy
-21.6323
eV
Raw total energy
-21.6323
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0371
eV
DOS at Fermi level
6.8639
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

ABC_163_spg12

Decomposition

TbDyCd

Computed at

2024-12-08 05:18:56

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: agm017170964).

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 agm017170964
data_agm017170964
_cell_length_a     8.65741
_cell_length_b     8.65741
_cell_length_c     5.40295
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  155.30743
_cell_volume       169.16971
_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 0.58732 0.41268 0.25000 1.00000
  Tb2 Tb 0.41268 0.58732 0.75000 1.00000
  Dy1 Dy 0.72542 0.27458 0.75000 1.00000
  Dy2 Dy 0.27458 0.72542 0.25000 1.00000
  Cd1 Cd 0.06980 0.93020 0.75000 1.00000
  Cd2 Cd 0.93020 0.06980 0.25000 1.00000
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