Navigation

HEAS Data Platform · Materials Science Database

Ho8Bi2Te3

Alexandria ALEX

Alex-ID: agm003355464 · Space group: C2/m (#12)

Basic Information

Formula
Ho8Bi2Te3
Alex-ID
agm003355464
Elements
3
Sites
13
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
415.00
ų
Cell a
6.8089
Å
Cell b
8.5445
Å
Cell c
8.3479
Å
α angle
120.78
°
β angle
95.11
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Bi2Te3
Ho
8.00 · 61.5%
Bi
2.00 · 15.4%
Te
3.00 · 23.1%

Energy & Stability

Energy above hull
0.2696
eV/atom
Formation energy
-0.5991
eV/atom
Corrected total energy
-61.6028
eV
Raw total energy
-61.6028
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0220
eV
DOS at Fermi level
11.5466
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_124_spg12

Decomposition

Ho3Te2 Ho5Bi3 Ho

Computed at

2022-02-03 13:33:30.896635

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: agm003355464).

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 agm003355464
data_agm003355464
_cell_length_a     6.80894
_cell_length_b     8.54452
_cell_length_c     8.34786
_cell_angle_alpha  120.78242
_cell_angle_beta   95.10630
_cell_angle_gamma  90.00000
_cell_volume       415.00319
_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 0.87568 0.59598 0.19197 1.00000
  Ho2 Ho 0.12432 0.40402 0.80803 1.00000
  Ho3 Ho 0.84994 0.16320 0.32639 1.00000
  Ho4 Ho 0.15006 0.83680 0.67361 1.00000
  Ho5 Ho 0.62977 0.58923 0.76937 1.00000
  Ho6 Ho 0.62977 0.18014 0.76937 1.00000
  Ho7 Ho 0.37023 0.81986 0.23063 1.00000
  Ho8 Ho 0.37023 0.41077 0.23063 1.00000
  Bi1 Bi 0.36717 0.23950 0.47899 1.00000
  Bi2 Bi 0.63283 0.76050 0.52101 1.00000
  Te1 Te 0.50000 0.00000 0.00000 1.00000
  Te2 Te 1.00000 0.20547 0.00000 1.00000
  Te3 Te 0.00000 0.79453 1.00000 1.00000
Get direct link