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Ho8Ga4Sn

Alexandria ALEX

Alex-ID: agm097690072 · Space group: Pm (#6)

Basic Information

Formula
Ho8Ga4Sn
Alex-ID
agm097690072
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
335.88
ų
Cell a
4.3654
Å
Cell b
8.7281
Å
Cell c
9.8049
Å
α angle
64.04
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8Ga4Sn
Ho
8.00 · 61.5%
Ga
4.00 · 30.8%
Sn
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1560
eV/atom
Formation energy
-0.4093
eV/atom
Corrected total energy
-58.0691
eV
Raw total energy
-58.0691
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0162
eV
DOS at Fermi level
12.1093
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_807_spg44

Decomposition

Ho3Ga2 Ho5Sn3 Ho

Computed at

2025-06-15 11:00:09

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: agm097690072).

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 agm097690072
data_agm097690072
_cell_length_a     4.36538
_cell_length_b     8.72810
_cell_length_c     9.80492
_cell_angle_alpha  64.03658
_cell_angle_beta   89.99950
_cell_angle_gamma  89.99723
_cell_volume       335.87730
_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 0.23083 0.28165 0.09479 1.00000
  Ho2 Ho 0.23085 0.71322 0.27711 1.00000
  Ho3 Ho 0.23073 0.68767 0.70064 1.00000
  Ho4 Ho 0.73080 0.00773 0.68546 1.00000
  Ho5 Ho 0.73082 0.95949 0.36080 1.00000
  Ho6 Ho 0.73084 0.35984 0.37045 1.00000
  Ho7 Ho 0.23075 0.29991 0.70400 1.00000
  Ho8 Ho 0.73084 0.64392 0.02314 1.00000
  Ga1 Ga 0.23074 0.90039 0.91483 1.00000
  Ga2 Ga 0.73060 0.42741 0.85539 1.00000
  Ga3 Ga 0.73058 0.57661 0.53931 1.00000
  Ga4 Ga 0.23073 0.10557 0.45973 1.00000
  Sn1 Sn 0.73089 0.03661 0.01435 1.00000
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