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Nd13Cd2

Alexandria ALEX

Alex-ID: agm003285751 · Space group: P-1 (#2)

Basic Information

Formula
Nd13Cd2
Alex-ID
agm003285751
Elements
2
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
504.86
ų
Cell a
6.5743
Å
Cell b
8.6966
Å
Cell c
9.6915
Å
α angle
111.08
°
β angle
78.09
°
γ angle
97.60
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nd13Cd2
Nd
13.00 · 86.7%
Cd
2.00 · 13.3%

Energy & Stability

Energy above hull
0.0414
eV/atom
Formation energy
-0.0417
eV/atom
Corrected total energy
-64.5142
eV
Raw total energy
-64.5142
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.4953
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B13_9_spg2

Decomposition

NdCd Nd

Computed at

2022-01-14 10:07:17.674298

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: agm003285751).

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 agm003285751
data_agm003285751
_cell_length_a     6.57432
_cell_length_b     8.69662
_cell_length_c     9.69150
_cell_angle_alpha  111.08320
_cell_angle_beta   78.08934
_cell_angle_gamma  97.59845
_cell_volume       504.86078
_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 0.74775 0.59593 0.05577 1.00000
  Nd2 Nd 0.25225 0.40407 0.94423 1.00000
  Nd3 Nd 0.00000 0.00000 0.00000 1.00000
  Nd4 Nd 0.29233 0.01274 0.65110 1.00000
  Nd5 Nd 0.70767 0.98726 0.34890 1.00000
  Nd6 Nd 0.05183 0.58171 0.70710 1.00000
  Nd7 Nd 0.94817 0.41829 0.29290 1.00000
  Nd8 Nd 0.45563 0.62851 0.41570 1.00000
  Nd9 Nd 0.54437 0.37149 0.58430 1.00000
  Nd10 Nd 0.52467 0.79307 0.84757 1.00000
  Nd11 Nd 0.47533 0.20693 0.15243 1.00000
  Nd12 Nd 0.79182 0.18214 0.77132 1.00000
  Nd13 Nd 0.20818 0.81786 0.22868 1.00000
  Cd1 Cd 0.87717 0.79420 0.54405 1.00000
  Cd2 Cd 0.12283 0.20580 0.45595 1.00000
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