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Tb(Dy3Co)2

Alexandria ALEX

Alex-ID: agm005707183 · Space group: Immm (#71)

Basic Information

Formula
Tb(Dy3Co)2
Alex-ID
agm005707183
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
473.37
ų
Cell a
8.5092
Å
Cell b
8.5092
Å
Cell c
8.5092
Å
α angle
107.55
°
β angle
108.58
°
γ angle
112.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(Dy3Co)2
Tb
2.00 · 11.1%
Dy
12.00 · 66.7%
Co
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0817
eV/atom
Formation energy
-0.0578
eV/atom
Corrected total energy
-94.0450
eV
Raw total energy
-94.0450
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0053
eV
DOS at Fermi level
20.0377
Total magnetisation
-0.0003
μB

Additional Information

Prototype ID

AB2C6_1783_spg71

Decomposition

TbDy2Co Tb5Dy Dy3Co

Computed at

2023-07-06 21:44:09.623890

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: agm005707183).

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 agm005707183
data_agm005707183
_cell_length_a     8.50919
_cell_length_b     8.50919
_cell_length_c     8.50918
_cell_angle_alpha  107.55401
_cell_angle_beta   108.57906
_cell_angle_gamma  112.32019
_cell_volume       473.36788
_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 0.50000 0.50000 1.00000
  Tb2 Tb 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.47366 0.28839 0.18527 1.00000
  Dy2 Dy 0.52634 0.71161 0.81473 1.00000
  Dy3 Dy 0.89688 0.71161 0.18527 1.00000
  Dy4 Dy 0.10312 0.28839 0.81473 1.00000
  Dy5 Dy 0.21402 0.75846 0.97248 1.00000
  Dy6 Dy 0.78598 0.24154 0.02752 1.00000
  Dy7 Dy 0.78598 0.75846 0.54444 1.00000
  Dy8 Dy 0.21402 0.24154 0.45556 1.00000
  Dy9 Dy 0.31677 0.99799 0.68122 1.00000
  Dy10 Dy 0.68323 0.00201 0.31878 1.00000
  Dy11 Dy 0.68323 0.36444 0.68122 1.00000
  Dy12 Dy 0.31677 0.63556 0.31878 1.00000
  Co1 Co 0.50000 0.38629 0.88629 1.00000
  Co2 Co 0.50000 0.61371 0.11371 1.00000
  Co3 Co 0.30037 1.00000 0.30037 1.00000
  Co4 Co 0.69963 0.00000 0.69963 1.00000
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