Navigation

HEAS Data Platform · Materials Science Database

Ho5Pu2Mn

Alexandria ALEX

Alex-ID: agm013326533 · Space group: Pmmm (#47)

Alexandria Database API

Basic Information

Formula
Ho5Pu2Mn
Alex-ID
agm013326533
Elements
3
Sites
8
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
222.15
ų
Cell a
3.7272
Å
Cell b
5.4520
Å
Cell c
10.9322
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Pu2Mn
Ho
5.00 · 62.5%
Pu
2.00 · 25.0%
Mn
1.00 · 12.5%

Energy & Stability

Energy above hull
0.2364
eV/atom
Formation energy
0.2181
eV/atom
Corrected total energy
-58.9814
eV
Raw total energy
-58.9814
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0026
eV
DOS at Fermi level
20.1473
Total magnetisation
-4.4544
μB

Additional Information

Prototype ID

AB2C5_754_spg123

Decomposition

Ho2PuMn2 Ho Pu

Computed at

2024-06-24 11:46:37.429707

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: agm013326533).

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 agm013326533
data_agm013326533
_cell_length_a     3.72717
_cell_length_b     5.45198
_cell_length_c     10.93224
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       222.14817
_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 0.00000 0.50000 0.72151 1.00000
  Ho2 Ho 0.00000 0.50000 0.27849 1.00000
  Ho3 Ho 0.50000 0.00000 0.25409 1.00000
  Ho4 Ho 0.50000 0.00000 0.74591 1.00000
  Ho5 Ho 0.00000 0.00000 0.00000 1.00000
  Pu1 Pu 0.50000 0.50000 0.00000 1.00000
  Pu2 Pu 0.00000 0.00000 0.50000 1.00000
  Mn1 Mn 0.50000 0.50000 0.50000 1.00000
Get direct link