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Ho6AgPt2Au3

Alexandria ALEX

Alex-ID: agm029316136 · Space group: C2/m (#12)

Basic Information

Formula
Ho6AgPt2Au3
Alex-ID
agm029316136
Elements
4
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
277.45
ų
Cell a
8.4218
Å
Cell b
8.4218
Å
Cell c
7.6116
Å
α angle
77.17
°
β angle
102.83
°
γ angle
148.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6AgPt2Au3
Ho
6.00 · 50.0%
Ag
1.00 · 8.3%
Pt
2.00 · 16.7%
Au
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0050
eV/atom
Formation energy
-0.9333
eV/atom
Corrected total energy
-63.5299
eV
Raw total energy
-63.5299
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0282
eV
DOS at Fermi level
8.0320
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_381_spg12

Decomposition

Ho4PtAu3 Ho2AgPt

Computed at

2024-12-02 19:19:53

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: agm029316136).

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 agm029316136
data_agm029316136
_cell_length_a     8.42179
_cell_length_b     8.42179
_cell_length_c     7.61158
_cell_angle_alpha  77.16535
_cell_angle_beta   102.83465
_cell_angle_gamma  148.11512
_cell_volume       277.44932
_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 0.67678 0.32322 0.84829 1.00000
  Ho2 Ho 0.32680 0.67320 0.67607 1.00000
  Ho3 Ho 0.32322 0.67678 0.15171 1.00000
  Ho4 Ho 0.99868 0.00132 0.23905 1.00000
  Ho5 Ho 0.00132 0.99868 0.76095 1.00000
  Ho6 Ho 0.67320 0.32680 0.32393 1.00000
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
  Pt1 Pt 0.14330 0.85670 0.07327 1.00000
  Pt2 Pt 0.85670 0.14330 0.92673 1.00000
  Au1 Au 0.50000 0.50000 0.00000 1.00000
  Au2 Au 0.13999 0.86001 0.56684 1.00000
  Au3 Au 0.86001 0.13999 0.43316 1.00000
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