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NdDy5

Alexandria ALEX

Alex-ID: agm008152155 · Space group: Amm2 (#38)

Basic Information

Formula
NdDy5
Alex-ID
agm008152155
Elements
2
Sites
6
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
195.67
ų
Cell a
9.6390
Å
Cell b
9.6390
Å
Cell c
5.7083
Å
α angle
90.00
°
β angle
90.00
°
γ angle
158.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
NdDy5
Nd
1.00 · 16.7%
Dy
5.00 · 83.3%

Energy & Stability

Energy above hull
0.0221
eV/atom
Formation energy
0.0198
eV/atom
Corrected total energy
-27.6725
eV
Raw total energy
-27.6725
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
10.9363
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB5_1310_spg10

Decomposition

Nd2Dy7 NdDy8

Computed at

2024-05-04 14:11:31.306388

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: agm008152155).

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 agm008152155
data_agm008152155
_cell_length_a     9.63900
_cell_length_b     9.63900
_cell_length_c     5.70828
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  158.34931
_cell_volume       195.67407
_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 0.99922 0.00078 0.00000 1.00000
  Dy1 Dy 0.77698 0.22302 0.50000 1.00000
  Dy2 Dy 0.66796 0.33204 0.00000 1.00000
  Dy3 Dy 0.44358 0.55642 0.50000 1.00000
  Dy4 Dy 0.33244 0.66756 0.00000 1.00000
  Dy5 Dy 0.11316 0.88684 0.50000 1.00000
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