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Ho7Zn3

Alexandria ALEX

Alex-ID: agm003291386 · Space group: P6_3mc (#186)

Alexandria Database API

Basic Information

Formula
Ho7Zn3
Alex-ID
agm003291386
Elements
2
Sites
20
Space group
P6_3mc (#186)
Crystal system
hexagonal
Volume
535.70
ų
Cell a
6.5149
Å
Cell b
9.7441
Å
Cell c
9.7441
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho7Zn3
Ho
14.00 · 70.0%
Zn
6.00 · 30.0%

Energy & Stability

Energy above hull
0.0740
eV/atom
Formation energy
-0.1339
eV/atom
Corrected total energy
-74.4463
eV
Raw total energy
-74.4463
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
25.6496
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A3B7_62_spg186

Decomposition

Ho2Zn Ho

Computed at

2022-01-16 23:28:23.769923

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: agm003291386).

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 agm003291386
data_agm003291386
_cell_length_a     6.51485
_cell_length_b     9.74410
_cell_length_c     9.74410
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       535.69631
_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 0.08008 0.66667 0.33333 1.00000
  Ho2 Ho 0.58008 0.33333 0.66667 1.00000
  Ho3 Ho 0.93066 0.87399 0.74798 1.00000
  Ho4 Ho 0.93066 0.87399 0.12601 1.00000
  Ho5 Ho 0.93066 0.25202 0.12601 1.00000
  Ho6 Ho 0.43066 0.12601 0.25202 1.00000
  Ho7 Ho 0.43066 0.12601 0.87399 1.00000
  Ho8 Ho 0.43066 0.74798 0.87399 1.00000
  Ho9 Ho 0.15129 0.46562 0.93124 1.00000
  Ho10 Ho 0.15129 0.46562 0.53438 1.00000
  Ho11 Ho 0.15129 0.06876 0.53438 1.00000
  Ho12 Ho 0.65129 0.53438 0.06876 1.00000
  Ho13 Ho 0.65129 0.53438 0.46562 1.00000
  Ho14 Ho 0.65129 0.93124 0.46562 1.00000
  Zn1 Zn 0.86069 0.19982 0.39964 1.00000
  Zn2 Zn 0.86069 0.19982 0.80018 1.00000
  Zn3 Zn 0.86069 0.60036 0.80018 1.00000
  Zn4 Zn 0.36069 0.80018 0.60036 1.00000
  Zn5 Zn 0.36069 0.80018 0.19982 1.00000
  Zn6 Zn 0.36069 0.39964 0.19982 1.00000
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