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Ho3NiAg2

Alexandria ALEX

Alex-ID: agm003418573 · Space group: Immm (#71)

Basic Information

Formula
Ho3NiAg2
Alex-ID
agm003418573
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
297.20
ų
Cell a
5.7779
Å
Cell b
7.6756
Å
Cell c
7.5481
Å
α angle
104.80
°
β angle
112.50
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3NiAg2
Ho
6.00 · 50.0%
Ni
2.00 · 16.7%
Ag
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2023
eV/atom
Formation energy
-0.1717
eV/atom
Corrected total energy
-52.5043
eV
Raw total energy
-52.5043
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.2189
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_1315_spg12

Decomposition

HoNi HoAg

Computed at

2022-02-13 17:56:21.163498

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: agm003418573).

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 agm003418573
data_agm003418573
_cell_length_a     5.77785
_cell_length_b     7.67559
_cell_length_c     7.54805
_cell_angle_alpha  104.80004
_cell_angle_beta   112.50339
_cell_angle_gamma  90.00000
_cell_volume       297.19918
_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 0.50053 0.25000 1.00000 1.00000
  Ho2 Ho 0.49947 0.75000 0.00000 1.00000
  Ho3 Ho 0.13549 0.06913 0.27382 1.00000
  Ho4 Ho 0.86167 0.43087 0.72618 1.00000
  Ho5 Ho 0.13833 0.56913 0.27382 1.00000
  Ho6 Ho 0.86451 0.93087 0.72618 1.00000
  Ni1 Ni 0.99945 0.75000 1.00000 1.00000
  Ni2 Ni 0.00055 0.25000 0.00000 1.00000
  Ag1 Ag 0.68527 0.59109 0.36757 1.00000
  Ag2 Ag 0.68229 0.09109 0.36757 1.00000
  Ag3 Ag 0.31771 0.90891 0.63243 1.00000
  Ag4 Ag 0.31473 0.40891 0.63243 1.00000
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