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Ho2Fe2Te

Alexandria ALEX

Alex-ID: agm044856039 · Space group: R-3m (#166)

Basic Information

Formula
Ho2Fe2Te
Alex-ID
agm044856039
Elements
3
Sites
5
Space group
R-3m (#166)
Crystal system
trigonal
Volume
109.40
ų
Cell a
8.4071
Å
Cell b
8.4071
Å
Cell c
8.4071
Å
α angle
27.18
°
β angle
27.18
°
γ angle
27.18
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Fe2Te
Ho
2.00 · 40.0%
Fe
2.00 · 40.0%
Te
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5811
eV/atom
Corrected total energy
-32.1298
eV
Raw total energy
-32.1298
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0118
eV
DOS at Fermi level
3.3876
Total magnetisation
2.1883
μB

Additional Information

Prototype ID

AB2C2_543_spg12

Decomposition

Ho2Fe2Te

Computed at

2025-04-13 21:59:27

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: agm044856039).

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 agm044856039
data_agm044856039
_cell_length_a     8.40707
_cell_length_b     8.40707
_cell_length_c     8.40707
_cell_angle_alpha  27.18252
_cell_angle_beta   27.18252
_cell_angle_gamma  27.18252
_cell_volume       109.40333
_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 0.42164 0.42164 0.42164 1.00000
  Ho2 Ho 0.57836 0.57836 0.57836 1.00000
  Fe1 Fe 0.16771 0.16771 0.16771 1.00000
  Fe2 Fe 0.83229 0.83229 0.83229 1.00000
  Te1 Te 0.00000 0.00000 0.00000 1.00000
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