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La2Tb3Dy2

Alexandria ALEX

Alex-ID: agm011908298 · Space group: C2/m (#12)

Basic Information

Formula
La2Tb3Dy2
Alex-ID
agm011908298
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
233.20
ų
Cell a
8.0731
Å
Cell b
8.0731
Å
Cell c
8.8199
Å
α angle
68.79
°
β angle
111.21
°
γ angle
154.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Tb3Dy2
La
2.00 · 28.6%
Tb
3.00 · 42.9%
Dy
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0311
eV/atom
Formation energy
0.0264
eV/atom
Corrected total energy
-32.7746
eV
Raw total energy
-32.7746
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.2745
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

A2B2C3_34_spg12

Decomposition

Tb5Dy La3Tb5 LaDy4

Computed at

2025-06-20 01:54:55

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: agm011908298).

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 agm011908298
data_agm011908298
_cell_length_a     8.07311
_cell_length_b     8.07311
_cell_length_c     8.81988
_cell_angle_alpha  68.78738
_cell_angle_beta   111.21262
_cell_angle_gamma  154.09366
_cell_volume       233.19531
_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
  La1 La 0.14130 0.85870 0.92648 1.00000
  La2 La 0.85870 0.14130 0.07352 1.00000
  Tb1 Tb 0.00000 0.00000 0.50000 1.00000
  Tb2 Tb 0.57370 0.42630 0.22189 1.00000
  Tb3 Tb 0.42630 0.57370 0.77811 1.00000
  Dy1 Dy 0.28523 0.71477 0.36025 1.00000
  Dy2 Dy 0.71477 0.28523 0.63975 1.00000
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