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Ho8Tl2Ga

Alexandria ALEX

Alex-ID: agm003530779 · Space group: C2/m (#12)

Basic Information

Formula
Ho8Tl2Ga
Alex-ID
agm003530779
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
314.34
ų
Cell a
5.1176
Å
Cell b
6.7330
Å
Cell c
9.7074
Å
α angle
102.57
°
β angle
105.28
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Tl2Ga
Ho
8.00 · 72.7%
Tl
2.00 · 18.2%
Ga
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0746
eV/atom
Formation energy
-0.2000
eV/atom
Corrected total energy
-46.5895
eV
Raw total energy
-46.5895
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.8148
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Ho9Tl4 Ho5TlGa2 Ho

Computed at

2022-03-15 07:52:02.981032

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: agm003530779).

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 agm003530779
data_agm003530779
_cell_length_a     5.11765
_cell_length_b     6.73299
_cell_length_c     9.70742
_cell_angle_alpha  102.57363
_cell_angle_beta   105.28347
_cell_angle_gamma  90.00000
_cell_volume       314.33610
_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 0.41069 0.54212 0.82139 1.00000
  Ho2 Ho 0.65269 0.98131 0.30538 1.00000
  Ho3 Ho 0.79493 0.68864 0.58986 1.00000
  Ho4 Ho 0.98209 0.23088 0.96418 1.00000
  Ho5 Ho 0.20507 0.31136 0.41014 1.00000
  Ho6 Ho 0.34731 0.01869 0.69462 1.00000
  Ho7 Ho 0.58931 0.45788 0.17861 1.00000
  Ho8 Ho 0.01791 0.76912 0.03583 1.00000
  Tl1 Tl 0.81533 0.24755 0.63067 1.00000
  Tl2 Tl 0.18467 0.75245 0.36933 1.00000
  Ga1 Ga 0.50000 0.00000 0.00000 1.00000
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