Navigation

HEAS Data Platform · Materials Science Database

Ho2Ni2Sn3

Alexandria ALEX

Alex-ID: agm009129705 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Ni2Sn3
Alex-ID
agm009129705
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
146.16
ų
Cell a
5.6330
Å
Cell b
5.6330
Å
Cell c
7.3899
Å
α angle
68.46
°
β angle
68.46
°
γ angle
42.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Ni2Sn3
Ho
2.00 · 28.6%
Ni
2.00 · 28.6%
Sn
3.00 · 42.9%

Energy & Stability

Energy above hull
0.1025
eV/atom
Formation energy
-0.5079
eV/atom
Corrected total energy
-36.2885
eV
Raw total energy
-36.2885
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0454
eV
DOS at Fermi level
4.5525
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_532_spg12

Decomposition

HoNiSn2 HoNiSn

Computed at

2024-03-17 17:07:01.615041

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: agm009129705).

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 agm009129705
data_agm009129705
_cell_length_a     5.63305
_cell_length_b     5.63305
_cell_length_c     7.38987
_cell_angle_alpha  68.46085
_cell_angle_beta   68.46085
_cell_angle_gamma  42.70472
_cell_volume       146.15808
_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 0.84861 0.84861 0.80103 1.00000
  Ho2 Ho 0.15139 0.15139 0.19897 1.00000
  Ni1 Ni 0.84885 0.84885 0.22510 1.00000
  Ni2 Ni 0.15115 0.15115 0.77490 1.00000
  Sn1 Sn 0.50000 0.50000 0.00000 1.00000
  Sn2 Sn 0.62439 0.62439 0.55160 1.00000
  Sn3 Sn 0.37561 0.37561 0.44840 1.00000
Get direct link