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Ho3TePb2

Alexandria ALEX

Alex-ID: agm034167826 · Space group: Immm (#71)

Basic Information

Formula
Ho3TePb2
Alex-ID
agm034167826
Elements
3
Sites
6
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
181.18
ų
Cell a
7.7834
Å
Cell b
7.7834
Å
Cell c
7.7834
Å
α angle
148.12
°
β angle
132.85
°
γ angle
58.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3TePb2
Ho
3.00 · 50.0%
Te
1.00 · 16.7%
Pb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0526
eV/atom
Formation energy
-0.7285
eV/atom
Corrected total energy
-28.6651
eV
Raw total energy
-28.6651
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.2925
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_4_spg71

Decomposition

Ho2TePb HoPb

Computed at

2025-04-13 18:21:07

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: agm034167826).

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 agm034167826
data_agm034167826
_cell_length_a     7.78344
_cell_length_b     7.78344
_cell_length_c     7.78344
_cell_angle_alpha  148.11607
_cell_angle_beta   132.84738
_cell_angle_gamma  58.05076
_cell_volume       181.18215
_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 0.00000 0.00000 0.00000 1.00000
  Ho2 Ho 0.66643 0.66643 0.00000 1.00000
  Ho3 Ho 0.33357 0.33357 0.00000 1.00000
  Te1 Te 0.50000 0.00000 0.50000 1.00000
  Pb1 Pb 0.16523 0.66523 0.50000 1.00000
  Pb2 Pb 0.83477 0.33477 0.50000 1.00000
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