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Ho4GaTe4

Alexandria ALEX

Alex-ID: agm003597404 · Space group: I-42m (#121)

Basic Information

Formula
Ho4GaTe4
Alex-ID
agm003597404
Elements
3
Sites
9
Space group
I-42m (#121)
Crystal system
tetragonal
Volume
333.98
ų
Cell a
6.7682
Å
Cell b
6.7682
Å
Cell c
8.7212
Å
α angle
112.83
°
β angle
112.83
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4GaTe4
Ho
4.00 · 44.4%
Ga
1.00 · 11.1%
Te
4.00 · 44.4%

Energy & Stability

Energy above hull
0.4594
eV/atom
Formation energy
-0.7889
eV/atom
Corrected total energy
-41.0100
eV
Raw total energy
-41.0100
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.5715
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C4_0_spg121

Decomposition

Ho2Ga2Te Ho6GaTe5 Ho5Te6

Computed at

2022-04-04 19:33:25.643105

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: agm003597404).

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 agm003597404
data_agm003597404
_cell_length_a     6.76821
_cell_length_b     6.76821
_cell_length_c     8.72117
_cell_angle_alpha  112.83217
_cell_angle_beta   112.83217
_cell_angle_gamma  90.00000
_cell_volume       333.97795
_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 0.65888 0.65888 0.74040 1.00000
  Ho2 Ho 0.34112 0.91848 0.25960 1.00000
  Ho3 Ho 0.08152 0.08152 0.74040 1.00000
  Ho4 Ho 0.91848 0.34112 0.25960 1.00000
  Ga1 Ga 0.00000 0.00000 0.00000 1.00000
  Te1 Te 0.50000 0.00000 0.00000 1.00000
  Te2 Te 0.00000 0.50000 0.00000 1.00000
  Te3 Te 0.28399 0.28399 0.56799 1.00000
  Te4 Te 0.71601 0.71601 0.43201 1.00000
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