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Ho3Pt2

Alexandria ALEX

Alex-ID: agm005530862 · Space group: P-3m1 (#164)

Basic Information

Formula
Ho3Pt2
Alex-ID
agm005530862
Elements
2
Sites
15
Space group
P-3m1 (#164)
Crystal system
trigonal
Volume
367.58
ų
Cell a
4.8393
Å
Cell b
7.7342
Å
Cell c
10.3414
Å
α angle
90.81
°
β angle
90.00
°
γ angle
108.23
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Pt2
Ho
9.00 · 60.0%
Pt
6.00 · 40.0%

Energy & Stability

Energy above hull
0.0389
eV/atom
Formation energy
-1.0518
eV/atom
Corrected total energy
-93.5113
eV
Raw total energy
-93.5113
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.8735
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3_645_spg164

Decomposition

Ho5Pt3 HoPt

Computed at

2023-05-27 01:59:05.961906

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: agm005530862).

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 agm005530862
data_agm005530862
_cell_length_a     4.83928
_cell_length_b     7.73415
_cell_length_c     10.34138
_cell_angle_alpha  90.81332
_cell_angle_beta   89.99999
_cell_angle_gamma  108.23116
_cell_volume       367.58422
_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 0.83261 0.66522 0.00067 1.00000
  Ho2 Ho 0.16739 0.33478 0.99933 1.00000
  Ho3 Ho 0.83411 0.66823 0.33265 1.00000
  Ho4 Ho 0.16589 0.33177 0.66735 1.00000
  Ho5 Ho 0.16674 0.33348 0.33333 1.00000
  Ho6 Ho 0.83326 0.66652 0.66667 1.00000
  Ho7 Ho 0.49932 0.99865 0.33401 1.00000
  Ho8 Ho 0.50068 0.00135 0.66599 1.00000
  Ho9 Ho 0.50000 0.00000 0.00000 1.00000
  Pt1 Pt 0.66184 0.32368 0.50470 1.00000
  Pt2 Pt 0.33816 0.67632 0.49530 1.00000
  Pt3 Pt 0.67149 0.34297 0.16197 1.00000
  Pt4 Pt 0.32851 0.65703 0.83803 1.00000
  Pt5 Pt 0.99523 0.99045 0.17134 1.00000
  Pt6 Pt 0.00477 0.00955 0.82866 1.00000
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