Navigation

HEAS Data Platform · Materials Science Database

Ho3(GaGe)2

Alexandria ALEX

Alex-ID: agm009641891 · Space group: Immm (#71)

Basic Information

Formula
Ho3(GaGe)2
Alex-ID
agm009641891
Elements
3
Sites
7
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
153.66
ų
Cell a
9.5660
Å
Cell b
9.5660
Å
Cell c
9.5660
Å
α angle
156.02
°
β angle
154.37
°
γ angle
35.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(GaGe)2
Ho
3.00 · 42.9%
Ga
2.00 · 28.6%
Ge
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0142
eV/atom
Formation energy
-0.7472
eV/atom
Corrected total energy
-34.2590
eV
Raw total energy
-34.2590
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.4884
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_553_spg71

Decomposition

HoGa2 HoGe

Computed at

2024-03-25 15:03:55.507575

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: agm009641891).

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 agm009641891
data_agm009641891
_cell_length_a     9.56596
_cell_length_b     9.56596
_cell_length_c     9.56596
_cell_angle_alpha  156.02439
_cell_angle_beta   154.37461
_cell_angle_gamma  35.37707
_cell_volume       153.65557
_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 0.00000 0.00000 0.00000 1.00000
  Ho2 Ho 0.81510 0.31510 0.50000 1.00000
  Ho3 Ho 0.18490 0.68490 0.50000 1.00000
  Ga1 Ga 0.43347 0.43347 0.00000 1.00000
  Ga2 Ga 0.56653 0.56653 0.00000 1.00000
  Ge1 Ge 0.34749 0.84749 0.50000 1.00000
  Ge2 Ge 0.65251 0.15251 0.50000 1.00000
Get direct link