Navigation

HEAS Data Platform · Materials Science Database

Nd2Dy5Cd2

Alexandria ALEX

Alex-ID: agm009115221 · Space group: C2/m (#12)

Basic Information

Formula
Nd2Dy5Cd2
Alex-ID
agm009115221
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
272.45
ų
Cell a
6.6535
Å
Cell b
6.6535
Å
Cell c
11.9719
Å
α angle
71.85
°
β angle
71.85
°
γ angle
32.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nd2Dy5Cd2
Nd
2.00 · 22.2%
Dy
5.00 · 55.6%
Cd
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0239
eV/atom
Formation energy
-0.1217
eV/atom
Corrected total energy
-35.5059
eV
Raw total energy
-35.5059
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.2499
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_1172_spg12

Decomposition

Dy2Cd Nd3Dy5 Nd

Computed at

2024-05-03 15:55:24.072872

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: agm009115221).

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 agm009115221
data_agm009115221
_cell_length_a     6.65354
_cell_length_b     6.65354
_cell_length_c     11.97195
_cell_angle_alpha  71.84521
_cell_angle_beta   71.84521
_cell_angle_gamma  32.92603
_cell_volume       272.45167
_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
  Nd1 Nd 0.01425 0.01425 0.16394 1.00000
  Nd2 Nd 0.98575 0.98575 0.83606 1.00000
  Dy1 Dy 0.69029 0.69029 0.91358 1.00000
  Dy2 Dy 0.30971 0.30971 0.08642 1.00000
  Dy3 Dy 0.31422 0.31422 0.37918 1.00000
  Dy4 Dy 0.68578 0.68578 0.62082 1.00000
  Dy5 Dy 0.00000 0.00000 0.50000 1.00000
  Cd1 Cd 0.34962 0.34962 0.70279 1.00000
  Cd2 Cd 0.65038 0.65038 0.29721 1.00000
Get direct link