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CeNd2LuSb4

Alexandria ALEX

Alex-ID: agm113290239 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
CeNd2LuSb4
Alex-ID
agm113290239
Elements
4
Sites
8
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
251.90
ų
Cell a
7.7429
Å
Cell b
4.4680
Å
Cell c
7.7204
Å
α angle
90.00
°
β angle
109.42
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeNd2LuSb4
Ce
1.00 · 12.5%
Nd
2.00 · 25.0%
Lu
1.00 · 12.5%
Sb
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0111
eV/atom
Formation energy
-1.1027
eV/atom
Corrected total energy
-45.3106
eV
Raw total energy
-45.3106
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
6.8948
Total magnetisation
0.6774
μB

Additional Information

Prototype ID

ABC2D4_47_spg10

Decomposition

CeNd2Sb3 LuSb

Computed at

2025-07-01 10:24:09

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: agm113290239).

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 agm113290239
data_agm113290239
_cell_length_a     7.74290
_cell_length_b     4.46804
_cell_length_c     7.72043
_cell_angle_alpha  90.00000
_cell_angle_beta   109.41908
_cell_angle_gamma  90.00000
_cell_volume       251.89884
_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
  Ce1 Ce 0.50000 0.50000 0.50000 1.00000
  Nd1 Nd 0.00000 0.50000 0.00000 1.00000
  Nd2 Nd 0.00000 0.00000 0.50000 1.00000
  Lu1 Lu 0.50000 0.00000 0.00000 1.00000
  Sb1 Sb 0.74279 0.00000 0.75246 1.00000
  Sb2 Sb 0.25721 0.00000 0.24754 1.00000
  Sb3 Sb 0.26104 0.50000 0.75810 1.00000
  Sb4 Sb 0.73896 0.50000 0.24190 1.00000
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