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Ho4SiTe4

Alexandria ALEX

Alex-ID: agm059592736 · Space group: C2/m (#12)

Basic Information

Formula
Ho4SiTe4
Alex-ID
agm059592736
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
279.13
ų
Cell a
7.4776
Å
Cell b
7.4776
Å
Cell c
10.5527
Å
α angle
61.08
°
β angle
118.92
°
γ angle
146.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4SiTe4
Ho
4.00 · 44.4%
Si
1.00 · 11.1%
Te
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0133
eV/atom
Formation energy
-1.2606
eV/atom
Corrected total energy
-47.6488
eV
Raw total energy
-47.6488
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.4602
eV
DOS at Fermi level
0.7726
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C4_91_spg5

Decomposition

Ho3SiTe2 HoSi Ho2Te3

Computed at

2025-01-21 23:12:12

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: agm059592736).

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 agm059592736
data_agm059592736
_cell_length_a     7.47762
_cell_length_b     7.47762
_cell_length_c     10.55265
_cell_angle_alpha  61.08424
_cell_angle_beta   118.91576
_cell_angle_gamma  146.77536
_cell_volume       279.12644
_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 0.30789 0.69211 0.21012 1.00000
  Ho2 Ho 0.69211 0.30789 0.78988 1.00000
  Ho3 Ho 0.91052 0.08948 0.59263 1.00000
  Ho4 Ho 0.08948 0.91052 0.40737 1.00000
  Si1 Si 0.50000 0.50000 0.50000 1.00000
  Te1 Te 0.69316 0.30684 0.29761 1.00000
  Te2 Te 0.89805 0.10195 0.09632 1.00000
  Te3 Te 0.30684 0.69316 0.70239 1.00000
  Te4 Te 0.10195 0.89805 0.90368 1.00000
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