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Ho4Ni2Ag5

Alexandria ALEX

Alex-ID: agm005658444 · Space group: P2/m (#10)

Basic Information

Formula
Ho4Ni2Ag5
Alex-ID
agm005658444
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
233.93
ų
Cell a
3.6205
Å
Cell b
7.2566
Å
Cell c
8.9562
Å
α angle
96.20
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4Ni2Ag5
Ho
4.00 · 36.4%
Ni
2.00 · 18.2%
Ag
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0413
eV/atom
Formation energy
-0.3281
eV/atom
Corrected total energy
-47.7475
eV
Raw total energy
-47.7475
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.2910
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_140_spg10

Decomposition

Ho2Ni2Ag HoAg2

Computed at

2023-06-22 06:45:34.003155

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: agm005658444).

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 agm005658444
data_agm005658444
_cell_length_a     3.62053
_cell_length_b     7.25656
_cell_length_c     8.95620
_cell_angle_alpha  96.20219
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       233.92531
_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 0.22573 0.43475 1.00000
  Ho2 Ho 0.50000 0.81254 0.14889 1.00000
  Ho3 Ho 0.50000 0.77427 0.56525 1.00000
  Ho4 Ho 0.50000 0.18746 0.85111 1.00000
  Ni1 Ni 0.00000 0.93132 0.36653 1.00000
  Ni2 Ni 0.00000 0.06868 0.63347 1.00000
  Ag1 Ag 0.00000 0.45503 0.67527 1.00000
  Ag2 Ag 0.00000 0.83711 0.85855 1.00000
  Ag3 Ag 0.00000 0.50000 0.00000 1.00000
  Ag4 Ag 0.00000 0.16289 0.14145 1.00000
  Ag5 Ag 0.00000 0.54497 0.32473 1.00000
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