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Ho3Zn2Pb3

Alexandria ALEX

Alex-ID: agm009852382 · Space group: P-62m (#189)

Basic Information

Formula
Ho3Zn2Pb3
Alex-ID
agm009852382
Elements
3
Sites
8
Space group
P-62m (#189)
Crystal system
hexagonal
Volume
203.38
ų
Cell a
7.9875
Å
Cell b
7.9875
Å
Cell c
3.6808
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Zn2Pb3
Ho
3.00 · 37.5%
Zn
2.00 · 25.0%
Pb
3.00 · 37.5%

Energy & Stability

Energy above hull
0.0529
eV/atom
Formation energy
-0.3535
eV/atom
Corrected total energy
-30.2448
eV
Raw total energy
-30.2448
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.7172
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C3_101_spg189

Decomposition

HoZn3 HoPb2 HoPb

Computed at

2024-03-19 08:37:53

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: agm009852382).

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 agm009852382
data_agm009852382
_cell_length_a     7.98754
_cell_length_b     7.98754
_cell_length_c     3.68080
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       203.37566
_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 0.37218 0.00000 0.50000 1.00000
  Ho2 Ho 0.62782 0.62782 0.50000 1.00000
  Ho3 Ho 0.00000 0.37218 0.50000 1.00000
  Zn1 Zn 0.33333 0.66667 0.00000 1.00000
  Zn2 Zn 0.66667 0.33333 0.00000 1.00000
  Pb1 Pb 0.72594 0.00000 0.00000 1.00000
  Pb2 Pb 0.27406 0.27406 0.00000 1.00000
  Pb3 Pb 0.00000 0.72594 0.00000 1.00000
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