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TbDy2Co9

Alexandria ALEX

Alex-ID: agm003540587 · Space group: R-3m (#166)

Basic Information

Formula
TbDy2Co9
Alex-ID
agm003540587
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
174.19
ų
Cell a
4.9786
Å
Cell b
4.9786
Å
Cell c
8.6089
Å
α angle
73.19
°
β angle
73.19
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbDy2Co9
Tb
1.00 · 8.3%
Dy
2.00 · 16.7%
Co
9.00 · 75.0%

Energy & Stability

Energy above hull
0.0030
eV/atom
Formation energy
-0.1601
eV/atom
Corrected total energy
-79.8747
eV
Raw total energy
-79.8747
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0244
eV
DOS at Fermi level
16.4534
Total magnetisation
10.5992
μB

Additional Information

Prototype ID

AB2C9_0_spg166

Decomposition

Tb2DyCo9 DyCo3

Computed at

2022-03-18 20:03:25.778792

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: agm003540587).

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 agm003540587
data_agm003540587
_cell_length_a     4.97858
_cell_length_b     4.97858
_cell_length_c     8.60892
_cell_angle_alpha  73.19279
_cell_angle_beta   73.19279
_cell_angle_gamma  60.00000
_cell_volume       174.19034
_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 0.00000 0.00000 1.00000
  Dy1 Dy 0.86018 0.86018 0.41946 1.00000
  Dy2 Dy 0.13982 0.13982 0.58054 1.00000
  Co1 Co 0.66521 0.66521 0.00436 1.00000
  Co2 Co 0.33479 0.33479 0.99564 1.00000
  Co3 Co 0.50000 0.50000 0.50000 1.00000
  Co4 Co 0.41741 0.41741 0.24384 1.00000
  Co5 Co 0.92135 0.41741 0.24384 1.00000
  Co6 Co 0.41741 0.92135 0.24384 1.00000
  Co7 Co 0.58259 0.58259 0.75616 1.00000
  Co8 Co 0.58259 0.07865 0.75616 1.00000
  Co9 Co 0.07865 0.58259 0.75616 1.00000
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