Navigation

HEAS Data Platform · Materials Science Database

Ho8PuAu4

Alexandria ALEX

Alex-ID: agm097560413 · Space group: Pm (#6)

Basic Information

Formula
Ho8PuAu4
Alex-ID
agm097560413
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
354.22
ų
Cell a
3.7214
Å
Cell b
10.7899
Å
Cell c
9.1262
Å
α angle
75.15
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8PuAu4
Ho
8.00 · 61.5%
Pu
1.00 · 7.7%
Au
4.00 · 30.8%

Energy & Stability

Energy above hull
0.1472
eV/atom
Formation energy
-0.4487
eV/atom
Corrected total energy
-69.9020
eV
Raw total energy
-69.9020
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0032
eV
DOS at Fermi level
19.9209
Total magnetisation
-6.7802
μB

Additional Information

Prototype ID

AB4C8_1878_spg1

Decomposition

Ho2Au Pu

Computed at

2025-06-16 04:10:42

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: agm097560413).

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 agm097560413
data_agm097560413
_cell_length_a     3.72142
_cell_length_b     10.78993
_cell_length_c     9.12617
_cell_angle_alpha  75.15432
_cell_angle_beta   90.00169
_cell_angle_gamma  89.99992
_cell_volume       354.21882
_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 0.80765 0.30208 0.07987 1.00000
  Ho2 Ho 0.80771 0.75187 0.10934 1.00000
  Ho3 Ho 0.80772 0.60657 0.79471 1.00000
  Ho4 Ho 0.80764 0.14358 0.47521 1.00000
  Ho5 Ho 0.30771 0.68930 0.45875 1.00000
  Ho6 Ho 0.30763 0.40882 0.35075 1.00000
  Ho7 Ho 0.30767 0.25312 0.75793 1.00000
  Ho8 Ho 0.30769 0.90541 0.75302 1.00000
  Pu1 Pu 0.30771 0.01316 0.20048 1.00000
  Au1 Au 0.80771 0.04510 0.91457 1.00000
  Au2 Au 0.30775 0.55075 0.04009 1.00000
  Au3 Au 0.80768 0.45334 0.57393 1.00000
  Au4 Au 0.80773 0.87691 0.49133 1.00000
Get direct link