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Sm15Ni32

Alexandria ALEX

Alex-ID: agm007755475 · Space group: F-43m (#216)

Alexandria Database API

Basic Information

Formula
Sm15Ni32
Alex-ID
agm007755475
Elements
2
Sites
47
Space group
F-43m (#216)
Crystal system
cubic
Volume
758.00
ų
Cell a
10.2344
Å
Cell b
10.2344
Å
Cell c
10.2344
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm15Ni32
Sm
15.00 · 31.9%
Ni
32.00 · 68.1%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3655
eV/atom
Corrected total energy
-273.1140
eV
Raw total energy
-273.1139
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
43.4889
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

A15B32_1_spg216

Decomposition

Sm15Ni32

Computed at

2025-02-27 12:54:25

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: agm007755475).

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 agm007755475
data_agm007755475
_cell_length_a     10.23439
_cell_length_b     10.23439
_cell_length_c     10.23439
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       758.00351
_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
  Sm1 Sm 0.25000 0.25000 0.25000 1.00000
  Sm2 Sm 0.65123 0.65123 0.04631 1.00000
  Sm3 Sm 0.65123 0.65123 0.65123 1.00000
  Sm4 Sm 0.04631 0.65123 0.65123 1.00000
  Sm5 Sm 0.65123 0.04631 0.65123 1.00000
  Sm6 Sm 0.12285 0.12285 0.63144 1.00000
  Sm7 Sm 0.12285 0.12285 0.12285 1.00000
  Sm8 Sm 0.63144 0.12285 0.12285 1.00000
  Sm9 Sm 0.12285 0.63144 0.12285 1.00000
  Sm10 Sm 0.73650 0.26350 0.26350 1.00000
  Sm11 Sm 0.26350 0.73650 0.26350 1.00000
  Sm12 Sm 0.73650 0.73650 0.26350 1.00000
  Sm13 Sm 0.26350 0.73650 0.73650 1.00000
  Sm14 Sm 0.73650 0.26350 0.73650 1.00000
  Sm15 Sm 0.26350 0.26350 0.73650 1.00000
  Ni1 Ni 0.43834 0.43834 0.68498 1.00000
  Ni2 Ni 0.43834 0.43834 0.43834 1.00000
  Ni3 Ni 0.68498 0.43834 0.43834 1.00000
  Ni4 Ni 0.43834 0.68498 0.43834 1.00000
  Ni5 Ni 0.93843 0.93843 0.18471 1.00000
  Ni6 Ni 0.93843 0.93843 0.93843 1.00000
  Ni7 Ni 0.18471 0.93843 0.93843 1.00000
  Ni8 Ni 0.93843 0.18471 0.93843 1.00000
  Ni9 Ni 0.94236 0.94236 0.69087 1.00000
  Ni10 Ni 0.94236 0.42442 0.69087 1.00000
  Ni11 Ni 0.42442 0.94236 0.69087 1.00000
  Ni12 Ni 0.94236 0.94236 0.42442 1.00000
  Ni13 Ni 0.42442 0.94236 0.94236 1.00000
  Ni14 Ni 0.94236 0.42442 0.94236 1.00000
  Ni15 Ni 0.69087 0.42442 0.94236 1.00000
  Ni16 Ni 0.69087 0.94236 0.94236 1.00000
  Ni17 Ni 0.69087 0.94236 0.42442 1.00000
  Ni18 Ni 0.42442 0.69087 0.94236 1.00000
  Ni19 Ni 0.94236 0.69087 0.42442 1.00000
  Ni20 Ni 0.94236 0.69087 0.94236 1.00000
  Ni21 Ni 0.43753 0.43753 0.18719 1.00000
  Ni22 Ni 0.43753 0.93775 0.18719 1.00000
  Ni23 Ni 0.93775 0.43753 0.18719 1.00000
  Ni24 Ni 0.43753 0.43753 0.93775 1.00000
  Ni25 Ni 0.93775 0.43753 0.43753 1.00000
  Ni26 Ni 0.43753 0.93775 0.43753 1.00000
  Ni27 Ni 0.18719 0.93775 0.43753 1.00000
  Ni28 Ni 0.18719 0.43753 0.43753 1.00000
  Ni29 Ni 0.18719 0.43753 0.93775 1.00000
  Ni30 Ni 0.93775 0.18719 0.43753 1.00000
  Ni31 Ni 0.43753 0.18719 0.93775 1.00000
  Ni32 Ni 0.43753 0.18719 0.43753 1.00000
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