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Nd11Cd9Rh4

Alexandria ALEX

Alex-ID: agm005725898 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Nd11Cd9Rh4
Alex-ID
agm005725898
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
628.45
ų
Cell a
3.8228
Å
Cell b
13.3546
Å
Cell c
13.3546
Å
α angle
112.81
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Nd11Cd9Rh4
Nd
11.00 · 45.8%
Cd
9.00 · 37.5%
Rh
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4848
eV/atom
Corrected total energy
-101.8487
eV
Raw total energy
-101.8487
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
18.2627
Total magnetisation
0.5491
μB

Additional Information

Prototype ID

A4B9C11_1_spg65

Decomposition

Nd11Cd9Rh4

Computed at

2023-07-11 05:50:18.565087

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: agm005725898).

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 agm005725898
data_agm005725898
_cell_length_a     3.82280
_cell_length_b     13.35461
_cell_length_c     13.35461
_cell_angle_alpha  112.81292
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       628.44879
_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 0.00000 0.58424 0.92053 1.00000
  Nd2 Nd 0.00000 0.41576 0.07947 1.00000
  Nd3 Nd 0.00000 0.92053 0.58424 1.00000
  Nd4 Nd 0.00000 0.07947 0.41576 1.00000
  Nd5 Nd 0.00000 0.62726 0.37274 1.00000
  Nd6 Nd 0.00000 0.37274 0.62726 1.00000
  Nd7 Nd 0.00000 0.83867 0.16133 1.00000
  Nd8 Nd 0.00000 0.16133 0.83867 1.00000
  Nd9 Nd 0.00000 0.00000 0.00000 1.00000
  Nd10 Nd 0.00000 0.69275 0.69275 1.00000
  Nd11 Nd 0.00000 0.30725 0.30725 1.00000
  Cd1 Cd 0.50000 0.63416 0.15833 1.00000
  Cd2 Cd 0.50000 0.36584 0.84167 1.00000
  Cd3 Cd 0.50000 0.15833 0.63416 1.00000
  Cd4 Cd 0.50000 0.84167 0.36584 1.00000
  Cd5 Cd 0.50000 0.78463 0.92688 1.00000
  Cd6 Cd 0.50000 0.21537 0.07312 1.00000
  Cd7 Cd 0.50000 0.92688 0.78463 1.00000
  Cd8 Cd 0.50000 0.07312 0.21537 1.00000
  Cd9 Cd 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.50000 0.54875 0.74980 1.00000
  Rh2 Rh 0.50000 0.45125 0.25020 1.00000
  Rh3 Rh 0.50000 0.74980 0.54875 1.00000
  Rh4 Rh 0.50000 0.25020 0.45125 1.00000
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