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HoPu2CoPt4

Alexandria ALEX

Alex-ID: agm044344302 · Space group: P1 (#1)

Basic Information

Formula
HoPu2CoPt4
Alex-ID
agm044344302
Elements
4
Sites
8
Space group
P1 (#1)
Crystal system
triclinic
Volume
159.72
ų
Cell a
7.1512
Å
Cell b
5.3369
Å
Cell c
5.6522
Å
α angle
77.75
°
β angle
50.36
°
γ angle
74.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoPu2CoPt4
Ho
1.00 · 12.5%
Pu
2.00 · 25.0%
Co
1.00 · 12.5%
Pt
4.00 · 50.0%

Energy & Stability

Energy above hull
0.1480
eV/atom
Formation energy
-0.6760
eV/atom
Corrected total energy
-70.1264
eV
Raw total energy
-70.1264
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
21.0557
Total magnetisation
8.6857
μB

Additional Information

Prototype ID

ABC2D4_368_spg23

Decomposition

PuPt2 HoPt PuPt Co

Computed at

2024-08-26 00:26:16.978891

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: agm044344302).

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 agm044344302
data_agm044344302
_cell_length_a     7.15118
_cell_length_b     5.33691
_cell_length_c     5.65220
_cell_angle_alpha  77.75078
_cell_angle_beta   50.36498
_cell_angle_gamma  74.32279
_cell_volume       159.71832
_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 0.98674 0.47722 0.09282 1.00000
  Pu1 Pu 0.71709 0.95726 0.66065 1.00000
  Pu2 Pu 0.32651 0.95368 0.44386 1.00000
  Co1 Co 0.55542 0.45204 0.93787 1.00000
  Pt1 Pt 0.47665 0.42005 0.52047 1.00000
  Pt2 Pt 0.05327 0.47063 0.53667 1.00000
  Pt3 Pt 0.21936 0.86987 0.05201 1.00000
  Pt4 Pt 0.82356 0.06921 0.03471 1.00000
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