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La2Tb2Dy2Er

Alexandria ALEX

Alex-ID: agm015740705 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
La2Tb2Dy2Er
Alex-ID
agm015740705
Elements
4
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
234.61
ų
Cell a
8.7006
Å
Cell b
8.7006
Å
Cell c
8.8768
Å
α angle
61.33
°
β angle
118.67
°
γ angle
156.39
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Tb2Dy2Er
La
2.00 · 28.6%
Tb
2.00 · 28.6%
Dy
2.00 · 28.6%
Er
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0452
eV/atom
Formation energy
0.0397
eV/atom
Corrected total energy
-32.6119
eV
Raw total energy
-32.6119
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.7174
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_489_spg2

Decomposition

La3Tb5 LaDy4 Tb5Dy LaEr2

Computed at

2025-06-23 18:09:27

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: agm015740705).

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 agm015740705
data_agm015740705
_cell_length_a     8.70064
_cell_length_b     8.70064
_cell_length_c     8.87683
_cell_angle_alpha  61.32587
_cell_angle_beta   118.67413
_cell_angle_gamma  156.38687
_cell_volume       234.61175
_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 0.63846 0.36154 0.33535 1.00000
  La2 La 0.36154 0.63846 0.66465 1.00000
  Tb1 Tb 0.70391 0.29609 0.79629 1.00000
  Tb2 Tb 0.29609 0.70391 0.20371 1.00000
  Dy1 Dy 0.07113 0.92887 0.92625 1.00000
  Dy2 Dy 0.92887 0.07113 0.07375 1.00000
  Er1 Er 0.00000 0.00000 0.50000 1.00000
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