Navigation

HEAS Data Platform · Materials Science Database

HoIn2Ag

Alexandria ALEX

Alex-ID: agm005685028 · Space group: I4/mmm (#139)

Basic Information

Formula
HoIn2Ag
Alex-ID
agm005685028
Elements
3
Sites
8
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
185.55
ų
Cell a
4.6923
Å
Cell b
4.6923
Å
Cell c
9.0569
Å
α angle
105.01
°
β angle
105.01
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoIn2Ag
Ho
2.00 · 25.0%
In
4.00 · 50.0%
Ag
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0092
eV/atom
Formation energy
-0.3532
eV/atom
Corrected total energy
-28.7640
eV
Raw total energy
-28.7640
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0237
eV
DOS at Fermi level
2.6396
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_52_spg139

Decomposition

HoInAg2 HoIn3

Computed at

2023-07-11 18:05:41.954523

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: agm005685028).

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 agm005685028
data_agm005685028
_cell_length_a     4.69231
_cell_length_b     4.69231
_cell_length_c     9.05688
_cell_angle_alpha  105.01351
_cell_angle_beta   105.01351
_cell_angle_gamma  90.00001
_cell_volume       185.54881
_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 0.13024 0.13024 0.26048 1.00000
  Ho2 Ho 0.86976 0.86976 0.73952 1.00000
  In1 In 0.00000 0.50000 0.00000 1.00000
  In2 In 0.50000 0.00000 0.00000 1.00000
  In3 In 0.35529 0.35529 0.71057 1.00000
  In4 In 0.64471 0.64471 0.28943 1.00000
  Ag1 Ag 0.25000 0.75000 0.50000 1.00000
  Ag2 Ag 0.75000 0.25000 0.50000 1.00000
Get direct link