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HEAS Data Platform · Materials Science Database

Ho8ZnTe7

Alexandria ALEX

Alex-ID: agm044143033 · Space group: Fm-3m (#225)

Basic Information

Formula
Ho8ZnTe7
Alex-ID
agm044143033
Elements
3
Sites
16
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
459.64
ų
Cell a
8.6625
Å
Cell b
8.6625
Å
Cell c
8.6625
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8ZnTe7
Ho
8.00 · 50.0%
Zn
1.00 · 6.3%
Te
7.00 · 43.8%

Energy & Stability

Energy above hull
0.0158
eV/atom
Formation energy
-1.1603
eV/atom
Corrected total energy
-78.4634
eV
Raw total energy
-78.4634
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.1519
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C8_4_spg225

Decomposition

Ho6ZnTe5 HoTe

Computed at

2025-02-06 20:16:35

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: agm044143033).

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 agm044143033
data_agm044143033
_cell_length_a     8.66252
_cell_length_b     8.66252
_cell_length_c     8.66252
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       459.63934
_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 0.73062 0.26938 0.73062 1.00000
  Ho2 Ho 0.73062 0.73062 0.26938 1.00000
  Ho3 Ho 0.25000 0.25000 0.25000 1.00000
  Ho4 Ho 0.73062 0.26938 0.26938 1.00000
  Ho5 Ho 0.26938 0.73062 0.73062 1.00000
  Ho6 Ho 0.75000 0.75000 0.75000 1.00000
  Ho7 Ho 0.26938 0.26938 0.73062 1.00000
  Ho8 Ho 0.26938 0.73062 0.26938 1.00000
  Zn1 Zn 0.50000 0.50000 0.50000 1.00000
  Te1 Te 0.00000 0.00000 0.00000 1.00000
  Te2 Te 0.00000 0.50000 0.50000 1.00000
  Te3 Te 0.00000 0.00000 0.50000 1.00000
  Te4 Te 0.00000 0.50000 0.00000 1.00000
  Te5 Te 0.50000 0.50000 0.00000 1.00000
  Te6 Te 0.50000 0.00000 0.50000 1.00000
  Te7 Te 0.50000 0.00000 0.00000 1.00000
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