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Tb2Dy6Ru

Alexandria ALEX

Alex-ID: agm003488071 · Space group: P2/m (#10)

Basic Information

Formula
Tb2Dy6Ru
Alex-ID
agm003488071
Elements
3
Sites
9
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
276.06
ų
Cell a
3.6795
Å
Cell b
8.6346
Å
Cell c
12.6261
Å
α angle
136.51
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Dy6Ru
Tb
2.00 · 22.2%
Dy
6.00 · 66.7%
Ru
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0874
eV/atom
Formation energy
-0.0590
eV/atom
Corrected total energy
-46.6942
eV
Raw total energy
-46.6942
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0151
eV
DOS at Fermi level
12.1625
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

AB2C6_1037_spg10

Decomposition

TbDy5 Tb5Dy Dy3Ru

Computed at

2022-03-10 17:51:35.367443

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: agm003488071).

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 agm003488071
data_agm003488071
_cell_length_a     3.67955
_cell_length_b     8.63464
_cell_length_c     12.62611
_cell_angle_alpha  136.51426
_cell_angle_beta   89.99867
_cell_angle_gamma  89.99680
_cell_volume       276.06165
_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 0.50005 0.76752 0.46737 1.00000
  Tb2 Tb 0.49995 0.23248 0.53263 1.00000
  Dy1 Dy 0.00021 0.26327 0.30059 1.00000
  Dy2 Dy 0.00001 0.22795 0.78318 1.00000
  Dy3 Dy 0.99979 0.73673 0.69941 1.00000
  Dy4 Dy 0.49997 0.28246 0.05187 1.00000
  Dy5 Dy 0.99999 0.77205 0.21682 1.00000
  Dy6 Dy 0.50003 0.71754 0.94813 1.00000
  Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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