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Tb2DyCo4

Alexandria ALEX

Alex-ID: agm014068477 · Space group: Immm (#71)

Basic Information

Formula
Tb2DyCo4
Alex-ID
agm014068477
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
132.70
ų
Cell a
8.8549
Å
Cell b
8.8549
Å
Cell c
8.8549
Å
α angle
153.48
°
β angle
154.62
°
γ angle
37.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2DyCo4
Tb
2.00 · 28.6%
Dy
1.00 · 14.3%
Co
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0041
eV/atom
Formation energy
-0.1839
eV/atom
Corrected total energy
-43.6505
eV
Raw total energy
-43.6505
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0030
eV
DOS at Fermi level
6.3021
Total magnetisation
2.2298
μB

Additional Information

Prototype ID

AB2C4_74_spg44

Decomposition

Tb5Co6 Tb(DyCo2)2 TbDy3Co8

Computed at

2025-04-18 00:17:51

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: agm014068477).

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 agm014068477
data_agm014068477
_cell_length_a     8.85493
_cell_length_b     8.85493
_cell_length_c     8.85493
_cell_angle_alpha  153.47991
_cell_angle_beta   154.61819
_cell_angle_gamma  37.03676
_cell_volume       132.70181
_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 0.81458 0.81458 1.00000 1.00000
  Tb2 Tb 0.18542 0.18542 0.00000 1.00000
  Dy1 Dy 0.50000 0.00000 0.50000 1.00000
  Co1 Co 0.63337 0.63337 1.00000 1.00000
  Co2 Co 0.36663 0.36663 0.00000 1.00000
  Co3 Co 0.06736 0.56736 0.50000 1.00000
  Co4 Co 0.93264 0.43264 0.50000 1.00000
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