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TbDyCo2

Alexandria ALEX

Alex-ID: agm069508516 · Space group: P2_1/m (#11)

Basic Information

Formula
TbDyCo2
Alex-ID
agm069508516
Elements
3
Sites
8
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
160.99
ų
Cell a
5.5155
Å
Cell b
3.8950
Å
Cell c
7.9239
Å
α angle
90.00
°
β angle
108.97
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbDyCo2
Tb
2.00 · 25.0%
Dy
2.00 · 25.0%
Co
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0010
eV/atom
Formation energy
-0.1905
eV/atom
Corrected total energy
-48.4916
eV
Raw total energy
-48.4916
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0072
eV
DOS at Fermi level
7.3029
Total magnetisation
0.1286
μB

Additional Information

Prototype ID

ABC2_47_spg63

Decomposition

DyCo TbCo

Computed at

2025-01-22 09:43:15

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: agm069508516).

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 agm069508516
data_agm069508516
_cell_length_a     5.51546
_cell_length_b     3.89504
_cell_length_c     7.92393
_cell_angle_alpha  90.00000
_cell_angle_beta   108.96871
_cell_angle_gamma  90.00000
_cell_volume       160.98504
_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 0.96853 0.25000 0.17919 1.00000
  Tb2 Tb 0.03147 0.75000 0.82081 1.00000
  Dy1 Dy 0.53591 0.75000 0.32352 1.00000
  Dy2 Dy 0.46409 0.25000 0.67648 1.00000
  Co1 Co 0.91197 0.25000 0.52917 1.00000
  Co2 Co 0.08803 0.75000 0.47083 1.00000
  Co3 Co 0.58406 0.75000 0.97153 1.00000
  Co4 Co 0.41594 0.25000 0.02847 1.00000
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