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Tb8DyMg2

Alexandria ALEX

Alex-ID: agm003520002 · Space group: C2/m (#12)

Basic Information

Formula
Tb8DyMg2
Alex-ID
agm003520002
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
345.62
ų
Cell a
5.6664
Å
Cell b
8.9073
Å
Cell c
8.9073
Å
α angle
121.10
°
β angle
102.50
°
γ angle
102.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8DyMg2
Tb
8.00 · 72.7%
Dy
1.00 · 9.1%
Mg
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1756
eV/atom
Formation energy
0.1390
eV/atom
Corrected total energy
-43.3228
eV
Raw total energy
-43.3228
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.5208
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_279_spg12

Decomposition

TbDyMg Tb5Dy Tb2Mg

Computed at

2022-03-15 20:19:03.459215

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: agm003520002).

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 agm003520002
data_agm003520002
_cell_length_a     5.66643
_cell_length_b     8.90733
_cell_length_c     8.90733
_cell_angle_alpha  121.10214
_cell_angle_beta   102.50255
_cell_angle_gamma  102.50255
_cell_volume       345.62304
_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 0.86796 0.90267 0.67892 1.00000
  Tb2 Tb 0.86796 0.67892 0.90267 1.00000
  Tb3 Tb 0.29622 0.59304 0.59304 1.00000
  Tb4 Tb 0.50000 0.78823 0.21177 1.00000
  Tb5 Tb 0.50000 0.21177 0.78823 1.00000
  Tb6 Tb 0.70378 0.40696 0.40696 1.00000
  Tb7 Tb 0.13204 0.32108 0.09733 1.00000
  Tb8 Tb 0.13204 0.09733 0.32108 1.00000
  Dy1 Dy 0.50000 0.00000 0.00000 1.00000
  Mg1 Mg 0.00000 0.30682 0.69318 1.00000
  Mg2 Mg 0.00000 0.69318 0.30682 1.00000
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