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Nd4CdCo2

Alexandria ALEX

Alex-ID: agm096567261 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
Nd4CdCo2
Alex-ID
agm096567261
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
190.04
ų
Cell a
5.2695
Å
Cell b
4.0351
Å
Cell c
9.2800
Å
α angle
90.00
°
β angle
74.39
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nd4CdCo2
Nd
4.00 · 57.1%
Cd
1.00 · 14.3%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1765
eV/atom
Formation energy
0.0144
eV/atom
Corrected total energy
-34.1595
eV
Raw total energy
-34.1595
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0112
eV
DOS at Fermi level
5.2770
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_30_spg65

Decomposition

Nd4CdCo Nd2CdCo2 NdCo

Computed at

2025-04-10 16:28:12

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: agm096567261).

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 agm096567261
data_agm096567261
_cell_length_a     5.26947
_cell_length_b     4.03514
_cell_length_c     9.27999
_cell_angle_alpha  90.00000
_cell_angle_beta   74.38707
_cell_angle_gamma  90.00000
_cell_volume       190.04031
_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 0.59327 0.50000 0.30427 1.00000
  Nd2 Nd 0.81417 0.00000 0.87026 1.00000
  Nd3 Nd 0.18583 0.00000 0.12974 1.00000
  Nd4 Nd 0.40673 0.50000 0.69573 1.00000
  Cd1 Cd 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.50000 0.00000 0.50000 1.00000
  Co2 Co 0.50000 0.50000 0.00000 1.00000
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