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Np2CdSn5

Alexandria ALEX

Alex-ID: agm040608510 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Np2CdSn5
Alex-ID
agm040608510
Elements
3
Sites
8
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
199.89
ų
Cell a
6.4994
Å
Cell b
6.4994
Å
Cell c
6.4994
Å
α angle
117.89
°
β angle
117.89
°
γ angle
93.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Np2CdSn5
Np
2.00 · 25.0%
Cd
1.00 · 12.5%
Sn
5.00 · 62.5%

Energy & Stability

Energy above hull
0.0127
eV/atom
Formation energy
-0.1133
eV/atom
Corrected total energy
-47.7255
eV
Raw total energy
-47.7255
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
20.7108
Total magnetisation
8.4379
μB

Additional Information

Prototype ID

AB2C5_257_spg139

Decomposition

Np2CdSn5

Computed at

2025-02-24 04:48:05

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: agm040608510).

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 agm040608510
data_agm040608510
_cell_length_a     6.49942
_cell_length_b     6.49942
_cell_length_c     6.49942
_cell_angle_alpha  117.88529
_cell_angle_beta   117.88529
_cell_angle_gamma  93.70355
_cell_volume       199.89045
_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
  Np1 Np 0.50000 0.00000 0.50000 1.00000
  Np2 Np 0.00000 0.50000 0.50000 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
  Sn1 Sn 0.00000 0.00000 0.50000 1.00000
  Sn2 Sn 0.00000 0.50000 0.00000 1.00000
  Sn3 Sn 0.50000 0.00000 0.00000 1.00000
  Sn4 Sn 0.50000 0.50000 0.50000 1.00000
  Sn5 Sn 0.50000 0.50000 0.00000 1.00000
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