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Tb7Dy3Tm2

Alexandria ALEX

Alex-ID: agm027058167 · Space group: C2/m (#12)

Basic Information

Formula
Tb7Dy3Tm2
Alex-ID
agm027058167
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
374.98
ų
Cell a
17.2099
Å
Cell b
17.2099
Å
Cell c
6.1361
Å
α angle
86.58
°
β angle
93.42
°
γ angle
168.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7Dy3Tm2
Tb
7.00 · 58.3%
Dy
3.00 · 25.0%
Tm
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0174
eV/atom
Formation energy
0.0118
eV/atom
Corrected total energy
-55.0392
eV
Raw total energy
-55.0392
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0074
eV
DOS at Fermi level
15.9238
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_115_spg10

Decomposition

DyTm5 TbDy5 Tb5Dy

Computed at

2025-01-22 02:04:10

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: agm027058167).

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 agm027058167
data_agm027058167
_cell_length_a     17.20990
_cell_length_b     17.20990
_cell_length_c     6.13606
_cell_angle_alpha  86.57801
_cell_angle_beta   93.42199
_cell_angle_gamma  168.07093
_cell_volume       374.97706
_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 0.24958 0.75042 0.24990 1.00000
  Tb2 Tb 0.75042 0.24958 0.75010 1.00000
  Tb3 Tb 0.58422 0.41578 0.69469 1.00000
  Tb4 Tb 0.00000 0.00000 0.50000 1.00000
  Tb5 Tb 0.41578 0.58422 0.30531 1.00000
  Tb6 Tb 0.91543 0.08457 0.80502 1.00000
  Tb7 Tb 0.08457 0.91543 0.19498 1.00000
  Dy1 Dy 0.50000 0.50000 0.00000 1.00000
  Dy2 Dy 0.16703 0.83297 0.88762 1.00000
  Dy3 Dy 0.83297 0.16703 0.11238 1.00000
  Tm1 Tm 0.66705 0.33295 0.38868 1.00000
  Tm2 Tm 0.33295 0.66705 0.61132 1.00000
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