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Ho6Ga3CoSnRh4

Alexandria ALEX

Alex-ID: agm010599790 · Space group: P-6m2 (#187)

Basic Information

Formula
Ho6Ga3CoSnRh4
Alex-ID
agm010599790
Elements
5
Sites
15
Space group
P-6m2 (#187)
Crystal system
hexagonal
Volume
317.83
ų
Cell a
9.4213
Å
Cell b
9.4213
Å
Cell c
4.1346
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Ga3CoSnRh4
Ho
6.00 · 40.0%
Ga
3.00 · 20.0%
Co
1.00 · 6.7%
Sn
1.00 · 6.7%
Rh
4.00 · 26.7%

Energy & Stability

Energy above hull
0.0643
eV/atom
Formation energy
-0.7417
eV/atom
Corrected total energy
-88.2174
eV
Raw total energy
-88.2173
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.8493
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC3D4E6_5_spg187

Decomposition

Ho6Ga7Co16 Ho2GaRh2 Ho5Sn3 HoGaRh Ho3CoSn3Rh2

Computed at

2024-03-11 17:57:24.717611

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: agm010599790).

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 agm010599790
data_agm010599790
_cell_length_a     9.42132
_cell_length_b     9.42132
_cell_length_c     4.13461
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       317.82535
_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 0.68542 0.84271 0.00000 1.00000
  Ho2 Ho 0.15729 0.84271 0.00000 1.00000
  Ho3 Ho 0.15729 0.31458 0.00000 1.00000
  Ho4 Ho 0.41652 0.20826 0.50000 1.00000
  Ho5 Ho 0.79174 0.20826 0.50000 1.00000
  Ho6 Ho 0.79174 0.58348 0.50000 1.00000
  Ga1 Ga 0.13050 0.56525 0.50000 1.00000
  Ga2 Ga 0.43475 0.56525 0.50000 1.00000
  Ga3 Ga 0.43475 0.86950 0.50000 1.00000
  Co1 Co 0.66667 0.33333 0.00000 1.00000
  Sn1 Sn 0.00000 0.00000 0.50000 1.00000
  Rh1 Rh 0.33333 0.66667 0.00000 1.00000
  Rh2 Rh 0.96030 0.48015 0.00000 1.00000
  Rh3 Rh 0.51985 0.48015 0.00000 1.00000
  Rh4 Rh 0.51985 0.03970 0.00000 1.00000
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