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Ho6InSi2

Alexandria ALEX

Alex-ID: agm005696167 · Space group: Immm (#71)

Basic Information

Formula
Ho6InSi2
Alex-ID
agm005696167
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
466.44
ų
Cell a
8.4731
Å
Cell b
8.4731
Å
Cell c
8.4731
Å
α angle
105.37
°
β angle
110.99
°
γ angle
112.13
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6InSi2
Ho
12.00 · 66.7%
In
2.00 · 11.1%
Si
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5334
eV/atom
Corrected total energy
-91.7748
eV
Raw total energy
-91.7748
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0299
eV
DOS at Fermi level
14.3380
Total magnetisation
-0.0003
μB

Additional Information

Prototype ID

AB2C6_160_spg71

Decomposition

Ho6InSi2

Computed at

2023-07-09 13:35:56.678756

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: agm005696167).

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 agm005696167
data_agm005696167
_cell_length_a     8.47307
_cell_length_b     8.47307
_cell_length_c     8.47307
_cell_angle_alpha  105.36809
_cell_angle_beta   110.99219
_cell_angle_gamma  112.13189
_cell_volume       466.44075
_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 0.53792 0.72304 0.81488 1.00000
  Ho2 Ho 0.46208 0.27696 0.18512 1.00000
  Ho3 Ho 0.09184 0.27696 0.81488 1.00000
  Ho4 Ho 0.90816 0.72304 0.18512 1.00000
  Ho5 Ho 0.79570 0.75879 0.55449 1.00000
  Ho6 Ho 0.20430 0.24121 0.44551 1.00000
  Ho7 Ho 0.20430 0.75879 0.96309 1.00000
  Ho8 Ho 0.79570 0.24121 0.03691 1.00000
  Ho9 Ho 0.70349 0.38320 0.67971 1.00000
  Ho10 Ho 0.29651 0.61680 0.32029 1.00000
  Ho11 Ho 0.29651 0.97621 0.67971 1.00000
  Ho12 Ho 0.70349 0.02379 0.32029 1.00000
  In1 In 0.00000 0.50000 0.50000 1.00000
  In2 In 0.00000 0.00000 0.00000 1.00000
  Si1 Si 0.50000 0.38392 0.88392 1.00000
  Si2 Si 0.50000 0.61608 0.11608 1.00000
  Si3 Si 0.63247 0.00000 0.63247 1.00000
  Si4 Si 0.36753 1.00000 0.36753 1.00000
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