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La8DyCu4

Alexandria ALEX

Alex-ID: agm097367345 · Space group: Pm (#6)

Basic Information

Formula
La8DyCu4
Alex-ID
agm097367345
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
375.86
ų
Cell a
3.8242
Å
Cell b
10.2931
Å
Cell c
10.9896
Å
α angle
60.33
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8DyCu4
La
8.00 · 61.5%
Dy
1.00 · 7.7%
Cu
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0325
eV/atom
Formation energy
-0.0722
eV/atom
Corrected total energy
-61.6022
eV
Raw total energy
-61.6022
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.3974
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1607_spg8

Decomposition

DyCu La LaCu

Computed at

2025-06-13 23:24:32

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: agm097367345).

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 agm097367345
data_agm097367345
_cell_length_a     3.82423
_cell_length_b     10.29311
_cell_length_c     10.98965
_cell_angle_alpha  60.32753
_cell_angle_beta   90.00033
_cell_angle_gamma  90.00141
_cell_volume       375.86222
_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 0.26933 0.15689 0.29974 1.00000
  La2 La 0.26888 0.52596 0.98503 1.00000
  La3 La 0.26930 0.78458 0.62825 1.00000
  La4 La 0.26878 0.20436 0.63049 1.00000
  La5 La 0.76928 0.83347 0.32204 1.00000
  La6 La 0.76932 0.47629 0.29708 1.00000
  La7 La 0.76903 0.44163 0.72860 1.00000
  La8 La 0.76900 0.86028 0.89410 1.00000
  Dy1 Dy 0.26928 0.09685 0.99387 1.00000
  Cu1 Cu 0.26942 0.74598 0.15519 1.00000
  Cu2 Cu 0.76938 0.26187 0.06446 1.00000
  Cu3 Cu 0.26958 0.56898 0.46222 1.00000
  Cu4 Cu 0.76941 0.04286 0.53892 1.00000
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