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La2Dy4Tm

Alexandria ALEX

Alex-ID: agm017335905 · Space group: I4/mmm (#139)

Basic Information

Formula
La2Dy4Tm
Alex-ID
agm017335905
Elements
3
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
229.70
ų
Cell a
17.5179
Å
Cell b
17.5175
Å
Cell c
3.6409
Å
α angle
84.04
°
β angle
84.03
°
γ angle
11.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Dy4Tm
La
2.00 · 28.6%
Dy
4.00 · 57.1%
Tm
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0569
eV/atom
Formation energy
0.0518
eV/atom
Corrected total energy
-32.3787
eV
Raw total energy
-32.3787
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.6928
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_2924_spg2

Decomposition

La5Dy LaDy4 LaTm2

Computed at

2025-06-22 20:50:41

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: agm017335905).

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 agm017335905
data_agm017335905
_cell_length_a     17.51792
_cell_length_b     17.51755
_cell_length_c     3.64091
_cell_angle_alpha  84.04086
_cell_angle_beta   84.02915
_cell_angle_gamma  11.92999
_cell_volume       229.69784
_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 0.71466 0.71466 0.28534 1.00000
  La2 La 0.28534 0.28534 0.71466 1.00000
  Dy1 Dy 0.56868 0.56868 0.43132 1.00000
  Dy2 Dy 0.43132 0.43132 0.56868 1.00000
  Dy3 Dy 0.86208 0.86208 0.13792 1.00000
  Dy4 Dy 0.13792 0.13792 0.86208 1.00000
  Tm1 Tm 0.00000 0.00000 0.00000 1.00000
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