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LaDy2Cd3

Alexandria ALEX

Alex-ID: agm042005993 · Space group: Cmmm (#65)

Basic Information

Formula
LaDy2Cd3
Alex-ID
agm042005993
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
165.48
ų
Cell a
8.5920
Å
Cell b
8.5920
Å
Cell c
3.7611
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaDy2Cd3
La
1.00 · 16.7%
Dy
2.00 · 33.3%
Cd
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0151
eV/atom
Formation energy
-0.3013
eV/atom
Corrected total energy
-18.7133
eV
Raw total energy
-18.7133
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0019
eV
DOS at Fermi level
7.3282
Total magnetisation
0.6788
μB

Additional Information

Prototype ID

AB2C3_1938_spg65

Decomposition

DyCd LaCd

Computed at

2025-04-15 04:37:15

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: agm042005993).

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 agm042005993
data_agm042005993
_cell_length_a     8.59197
_cell_length_b     8.59197
_cell_length_c     3.76111
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.41592
_cell_volume       165.48143
_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 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.66503 0.33497 0.00000 1.00000
  Dy2 Dy 0.33497 0.66503 0.00000 1.00000
  Cd1 Cd 0.50000 0.50000 0.50000 1.00000
  Cd2 Cd 0.17555 0.82445 0.50000 1.00000
  Cd3 Cd 0.82445 0.17555 0.50000 1.00000
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