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HoZn12Ag7

Alexandria ALEX

Alex-ID: agm003701397 · Space group: Im-3 (#204)

Alexandria Database API

Basic Information

Formula
HoZn12Ag7
Alex-ID
agm003701397
Elements
3
Sites
20
Space group
Im-3 (#204)
Crystal system
cubic
Volume
419.86
ų
Cell a
8.1704
Å
Cell b
8.1704
Å
Cell c
8.1704
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoZn12Ag7
Ho
1.00 · 5.0%
Zn
12.00 · 60.0%
Ag
7.00 · 35.0%

Energy & Stability

Energy above hull
0.3640
eV/atom
Formation energy
0.2355
eV/atom
Corrected total energy
-35.1662
eV
Raw total energy
-35.1662
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.3282
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C12_1_spg204

Decomposition

ZnAg2 Ho2Zn16Ag Zn7Ag6

Computed at

2022-04-14 01:28:36.474626

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: agm003701397).

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 agm003701397
data_agm003701397
_cell_length_a     8.17040
_cell_length_b     8.17040
_cell_length_c     8.17040
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       419.86315
_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
  Zn1 Zn 0.35507 0.24763 0.60269 1.00000
  Zn2 Zn 0.35507 0.75237 0.10744 1.00000
  Zn3 Zn 0.64493 0.75237 0.39731 1.00000
  Zn4 Zn 0.64493 0.24763 0.89256 1.00000
  Zn5 Zn 0.60269 0.35507 0.24763 1.00000
  Zn6 Zn 0.89256 0.64493 0.24763 1.00000
  Zn7 Zn 0.39731 0.64493 0.75237 1.00000
  Zn8 Zn 0.10744 0.35507 0.75237 1.00000
  Zn9 Zn 0.75237 0.10744 0.35507 1.00000
  Zn10 Zn 0.24763 0.89256 0.64493 1.00000
  Zn11 Zn 0.24763 0.60269 0.35507 1.00000
  Zn12 Zn 0.75237 0.39731 0.64493 1.00000
  Ag1 Ag 0.50000 0.00000 0.50000 1.00000
  Ag2 Ag 0.50000 0.50000 0.00000 1.00000
  Ag3 Ag 0.00000 0.50000 0.50000 1.00000
  Ag4 Ag 0.00000 0.00000 0.50000 1.00000
  Ag5 Ag 0.50000 0.00000 0.00000 1.00000
  Ag6 Ag 0.50000 0.50000 0.50000 1.00000
  Ag7 Ag 0.00000 0.50000 0.00000 1.00000
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