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Tb8Dy3Y

Alexandria ALEX

Alex-ID: agm013098546 · Space group: Pm (#6)

Basic Information

Formula
Tb8Dy3Y
Alex-ID
agm013098546
Elements
3
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
383.51
ų
Cell a
9.5356
Å
Cell b
3.5920
Å
Cell c
11.9354
Å
α angle
90.00
°
β angle
110.26
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Dy3Y
Tb
8.00 · 66.7%
Dy
3.00 · 25.0%
Y
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0074
eV/atom
Formation energy
0.0026
eV/atom
Corrected total energy
-57.3021
eV
Raw total energy
-57.3021
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0068
eV
DOS at Fermi level
15.9733
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

AB3C8_863_spg6

Decomposition

DyY5 Tb5Dy TbDy5

Computed at

2025-03-24 13:33:42

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: agm013098546).

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 agm013098546
data_agm013098546
_cell_length_a     9.53564
_cell_length_b     3.59201
_cell_length_c     11.93542
_cell_angle_alpha  90.00000
_cell_angle_beta   110.26344
_cell_angle_gamma  90.00000
_cell_volume       383.51198
_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 0.62290 0.50000 0.95817 1.00000
  Tb2 Tb 0.42817 0.00000 0.43056 1.00000
  Tb3 Tb 0.56609 0.50000 0.23656 1.00000
  Tb4 Tb 0.81725 0.00000 0.48704 1.00000
  Tb5 Tb 0.12319 0.50000 0.45896 1.00000
  Tb6 Tb 0.37207 0.00000 0.70879 1.00000
  Tb7 Tb 0.31653 0.00000 0.98637 1.00000
  Tb8 Tb 0.67870 0.50000 0.68105 1.00000
  Dy1 Dy 0.17903 0.50000 0.18030 1.00000
  Dy2 Dy 0.06654 0.50000 0.73662 1.00000
  Dy3 Dy 0.92918 0.00000 0.93061 1.00000
  Y1 Y 0.87344 0.00000 0.20840 1.00000
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