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HoNiPb

Alexandria ALEX

Alex-ID: agm005674427 · Space group: P2_1/m (#11)

Basic Information

Formula
HoNiPb
Alex-ID
agm005674427
Elements
3
Sites
6
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
134.98
ų
Cell a
4.4996
Å
Cell b
4.4940
Å
Cell c
8.0106
Å
α angle
90.00
°
β angle
123.56
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoNiPb
Ho
2.00 · 33.3%
Ni
2.00 · 33.3%
Pb
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0547
eV/atom
Formation energy
-0.3763
eV/atom
Corrected total energy
-30.3994
eV
Raw total energy
-30.3994
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.7829
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_9432_spg129

Decomposition

HoNiPb

Computed at

2023-06-17 23:13:45.180803

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: agm005674427).

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 agm005674427
data_agm005674427
_cell_length_a     4.49955
_cell_length_b     4.49399
_cell_length_c     8.01059
_cell_angle_alpha  90.00000
_cell_angle_beta   123.56230
_cell_angle_gamma  90.00000
_cell_volume       134.97699
_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 0.01710 0.25000 0.77226 1.00000
  Ho2 Ho 0.98290 0.75000 0.22774 1.00000
  Ni1 Ni 0.24229 0.25000 0.49979 1.00000
  Ni2 Ni 0.75771 0.75000 0.50021 1.00000
  Pb1 Pb 0.51302 0.25000 0.26189 1.00000
  Pb2 Pb 0.48698 0.75000 0.73811 1.00000
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