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Tb5Dy4

Alexandria ALEX

Alex-ID: agm009698050 · Space group: C2/m (#12)

Basic Information

Formula
Tb5Dy4
Alex-ID
agm009698050
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
283.55
ų
Cell a
3.5374
Å
Cell b
8.7000
Å
Cell c
9.3831
Å
α angle
90.11
°
β angle
79.10
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Dy4
Tb
5.00 · 55.6%
Dy
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0227
eV/atom
Formation energy
0.0178
eV/atom
Corrected total energy
-41.4166
eV
Raw total energy
-41.4166
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.7318
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A4B5_710_spg2

Decomposition

TbDy5 Tb5Dy

Computed at

2024-05-05 21:02:02.882559

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: agm009698050).

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 agm009698050
data_agm009698050
_cell_length_a     3.53737
_cell_length_b     8.70001
_cell_length_c     9.38313
_cell_angle_alpha  90.11088
_cell_angle_beta   79.09616
_cell_angle_gamma  89.99343
_cell_volume       283.55314
_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 0.94485 0.16672 0.61112 1.00000
  Tb2 Tb 0.05515 0.83328 0.38888 1.00000
  Tb3 Tb 0.27803 0.16690 0.94464 1.00000
  Tb4 Tb 0.72197 0.83310 0.05536 1.00000
  Tb5 Tb 0.50000 0.50000 0.50000 1.00000
  Dy1 Dy 0.61144 0.16693 0.27770 1.00000
  Dy2 Dy 0.38856 0.83307 0.72230 1.00000
  Dy3 Dy 0.16673 0.49993 0.16649 1.00000
  Dy4 Dy 0.83327 0.50007 0.83351 1.00000
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