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Ho3Ni6Sn5

Alexandria ALEX

Alex-ID: agm005705656 · Space group: Immm (#71)

Basic Information

Formula
Ho3Ni6Sn5
Alex-ID
agm005705656
Elements
3
Sites
14
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
258.10
ų
Cell a
4.3775
Å
Cell b
8.0965
Å
Cell c
8.0965
Å
α angle
72.71
°
β angle
74.32
°
γ angle
74.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Ni6Sn5
Ho
3.00 · 21.4%
Ni
6.00 · 42.9%
Sn
5.00 · 35.7%

Energy & Stability

Energy above hull
0.0131
eV/atom
Formation energy
-0.5130
eV/atom
Corrected total energy
-75.6347
eV
Raw total energy
-75.6347
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.0623
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5C6_4_spg71

Decomposition

Ni3Sn2 HoNiSn

Computed at

2023-06-30 11:54:56.005336

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: agm005705656).

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 agm005705656
data_agm005705656
_cell_length_a     4.37754
_cell_length_b     8.09654
_cell_length_c     8.09654
_cell_angle_alpha  72.70819
_cell_angle_beta   74.31586
_cell_angle_gamma  74.31585
_cell_volume       258.09826
_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
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Ho2 Ho 0.68869 0.31131 0.31131 1.00000
  Ho3 Ho 0.31132 0.68869 0.68869 1.00000
  Ni1 Ni 0.50000 0.67668 0.32332 1.00000
  Ni2 Ni 0.50000 0.32332 0.67668 1.00000
  Ni3 Ni 0.88451 0.39171 0.83927 1.00000
  Ni4 Ni 0.11549 0.60829 0.16073 1.00000
  Ni5 Ni 0.88451 0.83927 0.39171 1.00000
  Ni6 Ni 0.11549 0.16073 0.60829 1.00000
  Sn1 Sn 0.66875 0.67399 0.98851 1.00000
  Sn2 Sn 0.33125 0.32601 0.01149 1.00000
  Sn3 Sn 0.66875 0.98851 0.67399 1.00000
  Sn4 Sn 0.33125 0.01149 0.32601 1.00000
  Sn5 Sn 0.00000 0.50000 0.50000 1.00000
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