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Ho6AlZn5

Alexandria ALEX

Alex-ID: agm006104142 · Space group: Cmmm (#65)

Basic Information

Formula
Ho6AlZn5
Alex-ID
agm006104142
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
271.07
ų
Cell a
5.0177
Å
Cell b
7.1565
Å
Cell c
7.9549
Å
α angle
90.00
°
β angle
71.62
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6AlZn5
Zn
5.00 · 41.7%
Ho
6.00 · 50.0%
Al
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0001
eV/atom
Formation energy
-0.3532
eV/atom
Corrected total energy
-41.8467
eV
Raw total energy
-41.8467
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.8574
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB5C6_95_spg12

Decomposition

Ho5AlZn4 HoZn

Computed at

2023-08-17 22:48:43.376494

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: agm006104142).

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 agm006104142
data_agm006104142
_cell_length_a     5.01765
_cell_length_b     7.15653
_cell_length_c     7.95487
_cell_angle_alpha  90.00000
_cell_angle_beta   71.61609
_cell_angle_gamma  89.99998
_cell_volume       271.07319
_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
  Zn1 Zn 0.66572 0.50000 0.66855 1.00000
  Zn2 Zn 0.33594 1.00000 0.32813 1.00000
  Zn3 Zn 0.00000 0.50000 0.00000 1.00000
  Zn4 Zn 0.66406 0.00000 0.67187 1.00000
  Zn5 Zn 0.33428 0.50000 0.33145 1.00000
  Ho1 Ho 0.83235 0.74933 0.33531 1.00000
  Ho2 Ho 0.83234 0.25067 0.33531 1.00000
  Ho3 Ho 0.49999 0.25299 1.00000 1.00000
  Ho4 Ho 0.50001 0.74701 0.00000 1.00000
  Ho5 Ho 0.16766 0.74933 0.66469 1.00000
  Ho6 Ho 0.16765 0.25067 0.66469 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
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