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TbDy8Tm3

Alexandria ALEX

Alex-ID: agm017176289 · Space group: Pm (#6)

Basic Information

Formula
TbDy8Tm3
Alex-ID
agm017176289
Elements
3
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
371.59
ų
Cell a
8.7442
Å
Cell b
3.5534
Å
Cell c
12.3002
Å
α angle
90.00
°
β angle
103.52
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbDy8Tm3
Tb
1.00 · 8.3%
Dy
8.00 · 66.7%
Tm
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0049
eV/atom
Formation energy
-0.0003
eV/atom
Corrected total energy
-54.8807
eV
Raw total energy
-54.8807
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0113
eV
DOS at Fermi level
15.4638
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB3C8_861_spg6

Decomposition

Dy5Tm DyTm5 TbDy5

Computed at

2025-01-19 10:53:13

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: agm017176289).

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 agm017176289
data_agm017176289
_cell_length_a     8.74415
_cell_length_b     3.55341
_cell_length_c     12.30024
_cell_angle_alpha  90.00000
_cell_angle_beta   103.52190
_cell_angle_gamma  90.00000
_cell_volume       371.59387
_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 0.75256 0.00000 0.20806 1.00000
  Dy1 Dy 0.41667 0.50000 0.06832 1.00000
  Dy2 Dy 0.41768 0.00000 0.31908 1.00000
  Dy3 Dy 0.08693 0.50000 0.34666 1.00000
  Dy4 Dy 0.08760 0.00000 0.59869 1.00000
  Dy5 Dy 0.75291 0.50000 0.45906 1.00000
  Dy6 Dy 0.75520 0.00000 0.70993 1.00000
  Dy7 Dy 0.75281 0.50000 0.95808 1.00000
  Dy8 Dy 0.41947 0.50000 0.57130 1.00000
  Tm1 Tm 0.08564 0.00000 0.09591 1.00000
  Tm2 Tm 0.41821 0.00000 0.81999 1.00000
  Tm3 Tm 0.08807 0.50000 0.84834 1.00000
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