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Tb2Dy7

Alexandria ALEX

Alex-ID: agm009794843 · Space group: C2/m (#12)

Basic Information

Formula
Tb2Dy7
Alex-ID
agm009794843
Elements
2
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
282.65
ų
Cell a
9.4554
Å
Cell b
9.4554
Å
Cell c
9.4854
Å
α angle
64.68
°
β angle
115.32
°
γ angle
158.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Dy7
Tb
2.00 · 22.2%
Dy
7.00 · 77.8%

Energy & Stability

Energy above hull
0.0047
eV/atom
Formation energy
-0.0002
eV/atom
Corrected total energy
-41.4927
eV
Raw total energy
-41.4927
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.4496
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B7_131_spg2

Decomposition

TbDy5 Tb5Dy

Computed at

2025-01-07 03:45:43

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: agm009794843).

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 agm009794843
data_agm009794843
_cell_length_a     9.45542
_cell_length_b     9.45542
_cell_length_c     9.48535
_cell_angle_alpha  64.67871
_cell_angle_beta   115.32129
_cell_angle_gamma  158.26840
_cell_volume       282.65331
_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 0.85196 0.14804 0.33357 1.00000
  Tb2 Tb 0.14804 0.85196 0.66643 1.00000
  Dy1 Dy 0.66662 0.33338 0.00026 1.00000
  Dy2 Dy 0.33338 0.66662 0.99974 1.00000
  Dy3 Dy 0.81479 0.18521 0.66664 1.00000
  Dy4 Dy 0.18521 0.81479 0.33336 1.00000
  Dy5 Dy 0.00000 0.00000 0.00000 1.00000
  Dy6 Dy 0.51856 0.48144 0.33301 1.00000
  Dy7 Dy 0.48144 0.51856 0.66699 1.00000
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