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Ho2Ag5

Alexandria ALEX

Alex-ID: agm005531344 · Space group: C2/m (#12)

Basic Information

Formula
Ho2Ag5
Alex-ID
agm005531344
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
145.98
ų
Cell a
4.0263
Å
Cell b
5.3114
Å
Cell c
7.4076
Å
α angle
94.85
°
β angle
90.00
°
γ angle
112.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Ag5
Ho
2.00 · 28.6%
Ag
5.00 · 71.4%

Energy & Stability

Energy above hull
0.0409
eV/atom
Formation energy
-0.2413
eV/atom
Corrected total energy
-25.1023
eV
Raw total energy
-25.1023
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.8089
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_4_spg12

Decomposition

HoAg3 HoAg2

Computed at

2023-05-27 14:47:28.171143

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: agm005531344).

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 agm005531344
data_agm005531344
_cell_length_a     4.02633
_cell_length_b     5.31141
_cell_length_c     7.40760
_cell_angle_alpha  94.85138
_cell_angle_beta   90.00000
_cell_angle_gamma  112.27335
_cell_volume       145.98171
_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 0.08177 0.16353 0.22368 1.00000
  Ho2 Ho 0.91823 0.83647 0.77632 1.00000
  Ag1 Ag 0.35892 0.71784 0.06963 1.00000
  Ag2 Ag 0.64108 0.28216 0.93037 1.00000
  Ag3 Ag 0.20277 0.40553 0.63416 1.00000
  Ag4 Ag 0.50000 0.00000 0.50000 1.00000
  Ag5 Ag 0.79723 0.59447 0.36584 1.00000
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