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Sm8AlNi4

Alexandria ALEX

Alex-ID: agm097364449 · Space group: Pm (#6)

Basic Information

Formula
Sm8AlNi4
Alex-ID
agm097364449
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
325.44
ų
Cell a
3.6726
Å
Cell b
9.9584
Å
Cell c
10.3410
Å
α angle
59.37
°
β angle
90.00
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm8AlNi4
Sm
8.00 · 61.5%
Al
1.00 · 7.7%
Ni
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1074
eV/atom
Formation energy
-0.1935
eV/atom
Corrected total energy
-67.1851
eV
Raw total energy
-67.1851
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.5841
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1504_spg8

Decomposition

Sm3Ni Sm2AlNi2

Computed at

2025-06-02 10:08:38

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: agm097364449).

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 agm097364449
data_agm097364449
_cell_length_a     3.67263
_cell_length_b     9.95843
_cell_length_c     10.34096
_cell_angle_alpha  59.37055
_cell_angle_beta   89.99576
_cell_angle_gamma  89.98740
_cell_volume       325.43933
_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 0.42323 0.01611 0.31255 1.00000
  Sm2 Sm 0.42294 0.65996 0.04434 1.00000
  Sm3 Sm 0.42308 0.62469 0.63091 1.00000
  Sm4 Sm 0.92347 0.25669 0.73771 1.00000
  Sm5 Sm 0.92338 0.71319 0.29864 1.00000
  Sm6 Sm 0.92321 0.31635 0.35398 1.00000
  Sm7 Sm 0.42320 0.36598 0.99116 1.00000
  Sm8 Sm 0.42333 0.96498 0.68874 1.00000
  Al1 Al 0.42344 0.99406 0.00896 1.00000
  Ni1 Ni 0.92286 0.12000 0.07578 1.00000
  Ni2 Ni 0.92229 0.65732 0.83572 1.00000
  Ni3 Ni 0.42265 0.44268 0.47290 1.00000
  Ni4 Ni 0.92293 0.86800 0.54862 1.00000
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