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Tb2Dy2Er2Al

Alexandria ALEX

Alex-ID: agm017407849 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Tb2Dy2Er2Al
Alex-ID
agm017407849
Elements
4
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
204.10
ų
Cell a
3.5210
Å
Cell b
3.5210
Å
Cell c
16.6511
Å
α angle
83.92
°
β angle
96.08
°
γ angle
89.97
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Dy2Er2Al
Tb
2.00 · 28.6%
Dy
2.00 · 28.6%
Er
2.00 · 28.6%
Al
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0290
eV/atom
Formation energy
-0.1013
eV/atom
Corrected total energy
-32.0527
eV
Raw total energy
-32.0527
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.2104
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C2D2_117_spg119

Decomposition

TbDy5 Er2Al Tb5Dy

Computed at

2025-04-30 00:20:32

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: agm017407849).

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 agm017407849
data_agm017407849
_cell_length_a     3.52097
_cell_length_b     3.52097
_cell_length_c     16.65109
_cell_angle_alpha  83.91843
_cell_angle_beta   96.08157
_cell_angle_gamma  89.97162
_cell_volume       204.09571
_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 0.78896 0.21104 0.07807 1.00000
  Tb2 Tb 0.21104 0.78896 0.92193 1.00000
  Dy1 Dy 0.63499 0.36501 0.76884 1.00000
  Dy2 Dy 0.36501 0.63499 0.23116 1.00000
  Er1 Er 0.94196 0.05804 0.38541 1.00000
  Er2 Er 0.05804 0.94196 0.61459 1.00000
  Al1 Al 0.50000 0.50000 0.50000 1.00000
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