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Ho8ZnSb2

Alexandria ALEX

Alex-ID: agm003531372 · Space group: C2/m (#12)

Basic Information

Formula
Ho8ZnSb2
Alex-ID
agm003531372
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
309.19
ų
Cell a
4.9435
Å
Cell b
6.7845
Å
Cell c
9.7845
Å
α angle
102.71
°
β angle
104.63
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8ZnSb2
Ho
8.00 · 72.7%
Zn
1.00 · 9.1%
Sb
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1243
eV/atom
Formation energy
-0.3785
eV/atom
Corrected total energy
-50.3147
eV
Raw total energy
-50.3147
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0154
eV
DOS at Fermi level
10.6444
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB2C8_277_spg12

Decomposition

Ho5Zn2Sb Ho5Sb3 Ho

Computed at

2022-03-18 17:33:21.988165

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: agm003531372).

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 agm003531372
data_agm003531372
_cell_length_a     4.94346
_cell_length_b     6.78449
_cell_length_c     9.78447
_cell_angle_alpha  102.71440
_cell_angle_beta   104.63245
_cell_angle_gamma  90.00000
_cell_volume       309.19295
_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 0.40811 0.52113 0.81622 1.00000
  Ho2 Ho 0.65417 0.01343 0.30834 1.00000
  Ho3 Ho 0.78553 0.66774 0.57106 1.00000
  Ho4 Ho 0.98321 0.22556 0.96643 1.00000
  Ho5 Ho 0.21447 0.33226 0.42894 1.00000
  Ho6 Ho 0.34583 0.98657 0.69166 1.00000
  Ho7 Ho 0.59189 0.47887 0.18378 1.00000
  Ho8 Ho 0.01679 0.77444 0.03358 1.00000
  Zn1 Zn 0.50000 0.00000 0.00000 1.00000
  Sb1 Sb 0.81944 0.23446 0.63888 1.00000
  Sb2 Sb 0.18056 0.76554 0.36112 1.00000
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