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Sm2HoNi4

Alexandria ALEX

Alex-ID: agm012109232 · Space group: Immm (#71)

Basic Information

Formula
Sm2HoNi4
Alex-ID
agm012109232
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
136.99
ų
Cell a
9.2496
Å
Cell b
9.2496
Å
Cell c
9.2496
Å
α angle
155.80
°
β angle
154.99
°
γ angle
35.08
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm2HoNi4
Sm
2.00 · 28.6%
Ho
1.00 · 14.3%
Ni
4.00 · 57.1%

Energy & Stability

Energy above hull
0.0306
eV/atom
Formation energy
-0.3757
eV/atom
Corrected total energy
-39.7912
eV
Raw total energy
-39.7911
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.4311
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_74_spg44

Decomposition

HoNi2 SmNi

Computed at

2024-07-11 06:16:43.497563

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: agm012109232).

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 agm012109232
data_agm012109232
_cell_length_a     9.24959
_cell_length_b     9.24959
_cell_length_c     9.24959
_cell_angle_alpha  155.79965
_cell_angle_beta   154.98973
_cell_angle_gamma  35.08007
_cell_volume       136.99316
_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 0.18167 0.18167 0.00000 1.00000
  Sm2 Sm 0.81833 0.81833 0.00000 1.00000
  Ho1 Ho 0.50000 0.00000 0.50000 1.00000
  Ni1 Ni 0.36162 0.36162 0.00000 1.00000
  Ni2 Ni 0.63838 0.63838 0.00000 1.00000
  Ni3 Ni 0.93519 0.43519 0.50000 1.00000
  Ni4 Ni 0.06481 0.56481 0.50000 1.00000
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