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Ho5Ga2Sn

Alexandria ALEX

Alex-ID: agm003469864 · Space group: I4/mcm (#140)

Basic Information

Formula
Ho5Ga2Sn
Alex-ID
agm003469864
Elements
3
Sites
16
Space group
I4/mcm (#140)
Crystal system
tetragonal
Volume
418.98
ų
Cell a
7.8375
Å
Cell b
7.8375
Å
Cell c
8.7885
Å
α angle
116.48
°
β angle
116.48
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Ga2Sn
Ho
10.00 · 62.5%
Ga
4.00 · 25.0%
Sn
2.00 · 12.5%

Energy & Stability

Energy above hull
0.0003
eV/atom
Formation energy
-0.5788
eV/atom
Corrected total energy
-75.1692
eV
Raw total energy
-75.1692
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.0267
Total magnetisation
-0.0006
μB

Additional Information

Prototype ID

AB2C5_62_spg140

Decomposition

Ho3Ga2 Ho5Sn3 Ho

Computed at

2022-02-20 15:41:37.322788

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: agm003469864).

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 agm003469864
data_agm003469864
_cell_length_a     7.83746
_cell_length_b     7.83746
_cell_length_c     8.78852
_cell_angle_alpha  116.48043
_cell_angle_beta   116.48043
_cell_angle_gamma  90.00000
_cell_volume       418.98147
_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 0.51718 0.69409 0.71127 1.00000
  Ho2 Ho 0.80591 0.98282 0.28873 1.00000
  Ho3 Ho 0.00000 0.00000 0.00000 1.00000
  Ho4 Ho 0.50000 0.50000 0.00000 1.00000
  Ho5 Ho 0.19409 0.01718 0.71127 1.00000
  Ho6 Ho 0.69409 0.19409 0.71127 1.00000
  Ho7 Ho 0.01718 0.51718 0.71127 1.00000
  Ho8 Ho 0.30591 0.80591 0.28873 1.00000
  Ho9 Ho 0.98282 0.48282 0.28873 1.00000
  Ho10 Ho 0.48282 0.30591 0.28873 1.00000
  Ga1 Ga 0.13121 0.36879 1.00000 1.00000
  Ga2 Ga 0.63121 0.13122 1.00000 1.00000
  Ga3 Ga 0.36878 0.86879 0.00000 1.00000
  Ga4 Ga 0.86878 0.63122 0.00000 1.00000
  Sn1 Sn 0.75000 0.75000 0.50000 1.00000
  Sn2 Sn 0.25000 0.25000 0.50000 1.00000
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