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Ho4ZnPd2

Alexandria ALEX

Alex-ID: agm096661981 · Space group: P2/m (#10)

Basic Information

Formula
Ho4ZnPd2
Alex-ID
agm096661981
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
187.02
ų
Cell a
4.0229
Å
Cell b
6.2263
Å
Cell c
7.4679
Å
α angle
91.14
°
β angle
90.01
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4ZnPd2
Ho
4.00 · 57.1%
Zn
1.00 · 14.3%
Pd
2.00 · 28.6%

Energy & Stability

Energy above hull
0.2113
eV/atom
Formation energy
-0.4317
eV/atom
Corrected total energy
-32.9995
eV
Raw total energy
-32.9995
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0256
eV
DOS at Fermi level
6.5516
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_6202_spg10

Decomposition

Ho2Pd Ho3Zn2Pd HoPd

Computed at

2025-04-11 15:52:30

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: agm096661981).

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 agm096661981
data_agm096661981
_cell_length_a     4.02287
_cell_length_b     6.22631
_cell_length_c     7.46790
_cell_angle_alpha  91.14076
_cell_angle_beta   90.00882
_cell_angle_gamma  89.99574
_cell_volume       187.01605
_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 0.49996 0.23377 0.18794 1.00000
  Ho2 Ho 0.99997 0.24979 0.65787 1.00000
  Ho3 Ho 0.00003 0.75021 0.34213 1.00000
  Ho4 Ho 0.50004 0.76623 0.81206 1.00000
  Zn1 Zn 0.00000 0.50000 0.00000 1.00000
  Pd1 Pd 0.00000 0.00000 0.00000 1.00000
  Pd2 Pd 0.50000 0.00000 0.50000 1.00000
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