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Ho4InSi

Alexandria ALEX

Alex-ID: agm003756459 · Space group: C2/c (#15)

Basic Information

Formula
Ho4InSi
Alex-ID
agm003756459
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
338.75
ų
Cell a
6.1707
Å
Cell b
6.9243
Å
Cell c
8.7563
Å
α angle
103.68
°
β angle
110.63
°
γ angle
90.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4InSi
Ho
8.00 · 66.7%
In
2.00 · 16.7%
Si
2.00 · 16.7%

Energy & Stability

Energy above hull
0.2401
eV/atom
Formation energy
-0.2462
eV/atom
Corrected total energy
-55.9676
eV
Raw total energy
-55.9676
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
14.2615
Total magnetisation
0.0728
μB

Additional Information

Prototype ID

ABC4_1161_spg15

Decomposition

Ho6InSi2 Ho2In

Computed at

2022-04-19 01:40:41.320865

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: agm003756459).

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 agm003756459
data_agm003756459
_cell_length_a     6.17068
_cell_length_b     6.92431
_cell_length_c     8.75634
_cell_angle_alpha  103.68434
_cell_angle_beta   110.63466
_cell_angle_gamma  90.02076
_cell_volume       338.75160
_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 0.53659 0.03846 0.83290 1.00000
  Ho2 Ho 0.70383 0.46167 0.16701 1.00000
  Ho3 Ho 0.46341 0.96154 0.16710 1.00000
  Ho4 Ho 0.29617 0.53833 0.83299 1.00000
  Ho5 Ho 0.94572 0.88733 0.65825 1.00000
  Ho6 Ho 0.28729 0.61271 0.34152 1.00000
  Ho7 Ho 0.05428 0.11267 0.34175 1.00000
  Ho8 Ho 0.71271 0.38729 0.65848 1.00000
  In1 In 0.90690 0.75026 0.99996 1.00000
  In2 In 0.09310 0.24974 0.00004 1.00000
  Si1 Si 0.50000 0.00000 0.50000 1.00000
  Si2 Si 0.00000 0.50000 0.50000 1.00000
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