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HoAg4

Alexandria ALEX

Alex-ID: agm010163363 · Space group: C2/m (#12)

Basic Information

Formula
HoAg4
Alex-ID
agm010163363
Elements
2
Sites
5
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
100.04
ų
Cell a
4.7794
Å
Cell b
4.7794
Å
Cell c
5.2847
Å
α angle
70.86
°
β angle
70.86
°
γ angle
63.96
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoAg4
Ho
1.00 · 20.0%
Ag
4.00 · 80.0%

Energy & Stability

Energy above hull
0.0394
eV/atom
Formation energy
-0.1728
eV/atom
Corrected total energy
-16.8473
eV
Raw total energy
-16.8473
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.9795
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_1667_spg12

Decomposition

HoAg4

Computed at

2024-05-01 12:41:35.388207

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: agm010163363).

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 agm010163363
data_agm010163363
_cell_length_a     4.77941
_cell_length_b     4.77941
_cell_length_c     5.28470
_cell_angle_alpha  70.86476
_cell_angle_beta   70.86476
_cell_angle_gamma  63.95984
_cell_volume       100.03632
_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
  Ag1 Ag 0.40268 0.40268 0.77994 1.00000
  Ag2 Ag 0.59732 0.59732 0.22006 1.00000
  Ag3 Ag 0.21544 0.21544 0.37492 1.00000
  Ag4 Ag 0.78456 0.78456 0.62508 1.00000
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