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Tb(Dy4Tm3)2

Alexandria ALEX

Alex-ID: agm006007253 · Space group: C2/m (#12)

Basic Information

Formula
Tb(Dy4Tm3)2
Alex-ID
agm006007253
Elements
3
Sites
15
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
461.79
ų
Cell a
3.5441
Å
Cell b
15.0577
Å
Cell c
10.0709
Å
α angle
72.85
°
β angle
69.37
°
γ angle
69.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(Dy4Tm3)2
Tb
1.00 · 6.7%
Dy
8.00 · 53.3%
Tm
6.00 · 40.0%

Energy & Stability

Energy above hull
0.0078
eV/atom
Formation energy
0.0016
eV/atom
Corrected total energy
-68.2666
eV
Raw total energy
-68.2665
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.4658
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_239_spg12

Decomposition

Dy5Tm DyTm5 TbDy5

Computed at

2023-08-31 17:55:15.694459

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: agm006007253).

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 agm006007253
data_agm006007253
_cell_length_a     3.54411
_cell_length_b     15.05771
_cell_length_c     10.07095
_cell_angle_alpha  72.85351
_cell_angle_beta   69.37347
_cell_angle_gamma  69.39809
_cell_volume       461.78619
_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 0.50000 0.00000 0.00000 1.00000
  Dy1 Dy 0.65361 0.02209 0.31284 1.00000
  Dy2 Dy 0.85518 0.62191 0.71161 1.00000
  Dy3 Dy 0.05433 0.22293 0.11102 1.00000
  Dy4 Dy 0.34639 0.97791 0.68716 1.00000
  Dy5 Dy 0.14482 0.37809 0.28839 1.00000
  Dy6 Dy 0.94567 0.77707 0.88898 1.00000
  Dy7 Dy 0.29894 0.39956 0.60184 1.00000
  Dy8 Dy 0.70106 0.60044 0.39816 1.00000
  Tm1 Tm 0.09944 0.79967 0.20106 1.00000
  Tm2 Tm 0.25599 0.82187 0.51112 1.00000
  Tm3 Tm 0.54616 0.57761 0.08755 1.00000
  Tm4 Tm 0.90056 0.20033 0.79894 1.00000
  Tm5 Tm 0.74401 0.17813 0.48888 1.00000
  Tm6 Tm 0.45384 0.42239 0.91245 1.00000
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