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NdDy3Co

Alexandria ALEX

Alex-ID: agm005804843 · Space group: C2/m (#12)

Basic Information

Formula
NdDy3Co
Alex-ID
agm005804843
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
286.08
ų
Cell a
7.2263
Å
Cell b
7.2263
Å
Cell c
7.1555
Å
α angle
108.05
°
β angle
110.43
°
γ angle
110.34
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
NdDy3Co
Nd
2.00 · 20.0%
Dy
6.00 · 60.0%
Co
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0378
eV/atom
Formation energy
-0.0875
eV/atom
Corrected total energy
-52.2895
eV
Raw total energy
-52.2895
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0056
eV
DOS at Fermi level
10.5808
Total magnetisation
0.0010
μB

Additional Information

Prototype ID

ABC3_5112_spg46

Decomposition

Dy3Co Nd

Computed at

2023-07-07 14:38:34.195098

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: agm005804843).

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 agm005804843
data_agm005804843
_cell_length_a     7.22633
_cell_length_b     7.22633
_cell_length_c     7.15547
_cell_angle_alpha  108.05418
_cell_angle_beta   110.42578
_cell_angle_gamma  110.33757
_cell_volume       286.08179
_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 0.71290 0.04782 0.76072 1.00000
  Nd2 Nd 0.28710 0.95218 0.23928 1.00000
  Dy1 Dy 0.84146 0.04740 0.29677 1.00000
  Dy2 Dy 0.24937 0.45531 0.29677 1.00000
  Dy3 Dy 0.75063 0.54469 0.70323 1.00000
  Dy4 Dy 0.70431 0.45316 0.15747 1.00000
  Dy5 Dy 0.15854 0.95260 0.70323 1.00000
  Dy6 Dy 0.29569 0.54684 0.84253 1.00000
  Co1 Co 0.63787 0.74703 0.38490 1.00000
  Co2 Co 0.36213 0.25297 0.61510 1.00000
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