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Ho16Ir3Pt5

Alexandria ALEX

Alex-ID: agm008486264 · Space group: Cm (#8)

Basic Information

Formula
Ho16Ir3Pt5
Alex-ID
agm008486264
Elements
3
Sites
24
Space group
Cm (#8)
Crystal system
monoclinic
Volume
628.43
ų
Cell a
8.8758
Å
Cell b
8.8758
Å
Cell c
10.1863
Å
α angle
92.21
°
β angle
92.21
°
γ angle
51.61
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho16Ir3Pt5
Ho
16.00 · 66.7%
Ir
3.00 · 12.5%
Pt
5.00 · 20.8%

Energy & Stability

Energy above hull
0.1049
eV/atom
Formation energy
-0.7763
eV/atom
Corrected total energy
-148.9116
eV
Raw total energy
-148.9116
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.2445
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A3B5C16_2_spg8

Decomposition

Ho7Ir3 Ho5Ir3 Ho2Pt

Computed at

2024-04-22 12:54:47.670103

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: agm008486264).

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 agm008486264
data_agm008486264
_cell_length_a     8.87579
_cell_length_b     8.87579
_cell_length_c     10.18634
_cell_angle_alpha  92.21042
_cell_angle_beta   92.21042
_cell_angle_gamma  51.61296
_cell_volume       628.43004
_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 0.29473 0.81021 0.39912 1.00000
  Ho2 Ho 0.51225 0.51225 0.69023 1.00000
  Ho3 Ho 0.69576 0.69576 0.88918 1.00000
  Ho4 Ho 0.01399 0.01399 0.70562 1.00000
  Ho5 Ho 0.03619 0.03619 0.10728 1.00000
  Ho6 Ho 0.81021 0.29473 0.39912 1.00000
  Ho7 Ho 0.46957 0.98925 0.60854 1.00000
  Ho8 Ho 0.98925 0.46957 0.60854 1.00000
  Ho9 Ho 0.19400 0.19400 0.90267 1.00000
  Ho10 Ho 0.86652 0.86652 0.42993 1.00000
  Ho11 Ho 0.96444 0.50143 0.20127 1.00000
  Ho12 Ho 0.50143 0.96444 0.20127 1.00000
  Ho13 Ho 0.37254 0.37254 0.37766 1.00000
  Ho14 Ho 0.12784 0.64042 0.91093 1.00000
  Ho15 Ho 0.51756 0.51756 0.11006 1.00000
  Ho16 Ho 0.64042 0.12784 0.91093 1.00000
  Ir1 Ir 0.83510 0.83510 0.72038 1.00000
  Ir2 Ir 0.11913 0.70920 0.21915 1.00000
  Ir3 Ir 0.70920 0.11913 0.21915 1.00000
  Pt1 Pt 0.32466 0.80446 0.89300 1.00000
  Pt2 Pt 0.67909 0.67909 0.41256 1.00000
  Pt3 Pt 0.80446 0.32466 0.89300 1.00000
  Pt4 Pt 0.19013 0.19013 0.38618 1.00000
  Pt5 Pt 0.33170 0.33170 0.08866 1.00000
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