Navigation

HEAS Data Platform · Materials Science Database

Ho3AgPt2

Alexandria ALEX

Alex-ID: agm005706855 · Space group: Cmmm (#65)

Basic Information

Formula
Ho3AgPt2
Alex-ID
agm005706855
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
130.61
ų
Cell a
3.5495
Å
Cell b
4.9761
Å
Cell c
7.8019
Å
α angle
108.60
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3AgPt2
Ho
3.00 · 50.0%
Ag
1.00 · 16.7%
Pt
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0461
eV/atom
Formation energy
-0.9328
eV/atom
Corrected total energy
-34.3596
eV
Raw total energy
-34.3596
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0039
eV
DOS at Fermi level
4.4043
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_570_spg65

Decomposition

Ho2AgPt HoPt

Computed at

2023-08-07 02:34:21.890213

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: agm005706855).

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 agm005706855
data_agm005706855
_cell_length_a     3.54952
_cell_length_b     4.97609
_cell_length_c     7.80191
_cell_angle_alpha  108.59653
_cell_angle_beta   89.99998
_cell_angle_gamma  90.00001
_cell_volume       130.60798
_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 0.50000 0.50000 0.00000 1.00000
  Ho2 Ho 0.50000 0.82670 0.65340 1.00000
  Ho3 Ho 0.50000 0.17330 0.34660 1.00000
  Ag1 Ag 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 1.00000 0.33817 0.67635 1.00000
  Pt2 Pt 0.00000 0.66183 0.32365 1.00000
Get direct link