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Ho5(Hg2Pt)2

Alexandria ALEX

Alex-ID: agm012128100 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
Ho5(Hg2Pt)2
Alex-ID
agm012128100
Elements
3
Sites
22
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
523.72
ų
Cell a
3.6212
Å
Cell b
8.0005
Å
Cell c
18.0769
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5(Hg2Pt)2
Ho
10.00 · 45.5%
Hg
8.00 · 36.4%
Pt
4.00 · 18.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7534
eV/atom
Corrected total energy
-89.6005
eV
Raw total energy
-89.6005
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.7875
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_118_spg55

Decomposition

Ho5(Hg2Pt)2

Computed at

2025-01-02 13:54:55

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: agm012128100).

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 agm012128100
data_agm012128100
_cell_length_a     3.62125
_cell_length_b     8.00046
_cell_length_c     18.07690
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       523.71792
_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 0.00000 0.50000 1.00000
  Ho2 Ho 0.00000 0.50000 0.00000 1.00000
  Ho3 Ho 0.00000 0.77022 0.71491 1.00000
  Ho4 Ho 0.00000 0.22978 0.28509 1.00000
  Ho5 Ho 0.00000 0.27022 0.78509 1.00000
  Ho6 Ho 0.00000 0.72978 0.21491 1.00000
  Ho7 Ho 0.00000 0.89149 0.91262 1.00000
  Ho8 Ho 0.00000 0.10851 0.08738 1.00000
  Ho9 Ho 0.00000 0.39149 0.58738 1.00000
  Ho10 Ho 0.00000 0.60851 0.41262 1.00000
  Hg1 Hg 0.50000 0.78857 0.06092 1.00000
  Hg2 Hg 0.50000 0.21143 0.93908 1.00000
  Hg3 Hg 0.50000 0.28857 0.43908 1.00000
  Hg4 Hg 0.50000 0.71143 0.56092 1.00000
  Hg5 Hg 0.50000 0.91562 0.35654 1.00000
  Hg6 Hg 0.50000 0.08438 0.64346 1.00000
  Hg7 Hg 0.50000 0.41562 0.14346 1.00000
  Hg8 Hg 0.50000 0.58438 0.85654 1.00000
  Pt1 Pt 0.50000 0.98392 0.80114 1.00000
  Pt2 Pt 0.50000 0.01608 0.19886 1.00000
  Pt3 Pt 0.50000 0.48392 0.69886 1.00000
  Pt4 Pt 0.50000 0.51608 0.30114 1.00000
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