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HoAgGe

Alexandria ALEX

Alex-ID: agm005676439 · Space group: P-62m (#189)

Basic Information

Formula
HoAgGe
Alex-ID
agm005676439
Elements
3
Sites
9
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
185.99
ų
Cell a
4.2119
Å
Cell b
7.1407
Å
Cell c
7.1407
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoAgGe
Ho
3.00 · 33.3%
Ag
3.00 · 33.3%
Ge
3.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6465
eV/atom
Corrected total energy
-41.9595
eV
Raw total energy
-41.9595
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.2376
eV
DOS at Fermi level
1.1571
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_250_spg189

Decomposition

HoAgGe

Computed at

2023-06-17 10:38:30.555052

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: agm005676439).

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 agm005676439
data_agm005676439
_cell_length_a     4.21189
_cell_length_b     7.14073
_cell_length_c     7.14071
_cell_angle_alpha  120.00006
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       185.99099
_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 0.50000 0.41680 0.41680 1.00000
  Ho2 Ho 0.50000 0.00000 0.58320 1.00000
  Ho3 Ho 0.50000 0.58320 0.00000 1.00000
  Ag1 Ag 0.00000 0.74898 0.74898 1.00000
  Ag2 Ag 0.00000 1.00000 0.25102 1.00000
  Ag3 Ag 0.00000 0.25102 1.00000 1.00000
  Ge1 Ge 0.00000 0.33333 0.66666 1.00000
  Ge2 Ge 0.00000 0.66667 0.33334 1.00000
  Ge3 Ge 0.50000 1.00000 0.00000 1.00000
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