Navigation

HEAS Data Platform · Materials Science Database

Ho10Sn6Ge

Alexandria ALEX

Alex-ID: agm023087993 · Space group: P-31m (#162)

Basic Information

Formula
Ho10Sn6Ge
Alex-ID
agm023087993
Elements
3
Sites
17
Space group
P-31m (#162)
Crystal system
trigonal
Volume
466.42
ų
Cell a
9.0687
Å
Cell b
9.0687
Å
Cell c
6.5487
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho10Sn6Ge
Ho
10.00 · 58.8%
Sn
6.00 · 35.3%
Ge
1.00 · 5.9%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7538
eV/atom
Corrected total energy
-87.2339
eV
Raw total energy
-87.2339
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.0084
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB6C10_1_spg162

Decomposition

Ho10Sn6Ge

Computed at

2024-10-26 19:40:36.789566

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: agm023087993).

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 agm023087993
data_agm023087993
_cell_length_a     9.06868
_cell_length_b     9.06868
_cell_length_c     6.54874
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       466.41906
_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 0.74825 0.00000 0.25268 1.00000
  Ho2 Ho 0.00000 0.74825 0.25268 1.00000
  Ho3 Ho 0.25175 0.25175 0.25268 1.00000
  Ho4 Ho 0.25175 0.00000 0.74732 1.00000
  Ho5 Ho 0.00000 0.25175 0.74732 1.00000
  Ho6 Ho 0.74825 0.74825 0.74732 1.00000
  Ho7 Ho 0.33333 0.66667 0.50000 1.00000
  Ho8 Ho 0.66667 0.33333 0.50000 1.00000
  Ho9 Ho 0.66667 0.33333 0.00000 1.00000
  Ho10 Ho 0.33333 0.66667 0.00000 1.00000
  Sn1 Sn 0.39211 0.00000 0.25052 1.00000
  Sn2 Sn 0.00000 0.39211 0.25052 1.00000
  Sn3 Sn 0.60789 0.60789 0.25052 1.00000
  Sn4 Sn 0.60789 0.00000 0.74948 1.00000
  Sn5 Sn 0.00000 0.60789 0.74948 1.00000
  Sn6 Sn 0.39211 0.39211 0.74948 1.00000
  Ge1 Ge 0.00000 0.00000 0.50000 1.00000
Get direct link