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Ho3(Zn2Ag)2

Alexandria ALEX

Alex-ID: agm005607605 · Space group: C2/m (#12)

Basic Information

Formula
Ho3(Zn2Ag)2
Alex-ID
agm005607605
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
186.36
ų
Cell a
4.5357
Å
Cell b
5.7189
Å
Cell c
8.2923
Å
α angle
73.80
°
β angle
74.13
°
γ angle
66.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3(Zn2Ag)2
Ho
3.00 · 33.3%
Zn
4.00 · 44.4%
Ag
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0292
eV/atom
Formation energy
-0.3323
eV/atom
Corrected total energy
-27.5416
eV
Raw total energy
-27.5416
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.9809
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_272_spg12

Decomposition

HoZn2 HoAg2

Computed at

2023-06-29 07:42:17.211976

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: agm005607605).

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 agm005607605
data_agm005607605
_cell_length_a     4.53574
_cell_length_b     5.71893
_cell_length_c     8.29234
_cell_angle_alpha  73.79507
_cell_angle_beta   74.12798
_cell_angle_gamma  66.63703
_cell_volume       186.35601
_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 0.32955 0.67606 0.66484 1.00000
  Ho2 Ho 0.00000 0.00000 0.00000 1.00000
  Ho3 Ho 0.67045 0.32394 0.33516 1.00000
  Zn1 Zn 0.27347 0.39912 0.05395 1.00000
  Zn2 Zn 0.72653 0.60088 0.94605 1.00000
  Zn3 Zn 0.04488 0.29486 0.61538 1.00000
  Zn4 Zn 0.95512 0.70514 0.38462 1.00000
  Ag1 Ag 0.39318 0.94103 0.27261 1.00000
  Ag2 Ag 0.60682 0.05897 0.72739 1.00000
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