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Ho6SbPt8

Alexandria ALEX

Alex-ID: agm072962365 · Space group: P-1 (#2)

Basic Information

Formula
Ho6SbPt8
Alex-ID
agm072962365
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
316.67
ų
Cell a
6.5970
Å
Cell b
8.2335
Å
Cell c
8.1621
Å
α angle
59.98
°
β angle
66.96
°
γ angle
56.71
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6SbPt8
Ho
6.00 · 40.0%
Sb
1.00 · 6.7%
Pt
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1620
eV/atom
Formation energy
-1.0580
eV/atom
Corrected total energy
-96.1684
eV
Raw total energy
-96.1684
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.2298
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

Ho3Pt4 HoSbPt Ho3Pt5

Computed at

2024-10-07 07:01:00.408867

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: agm072962365).

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 agm072962365
data_agm072962365
_cell_length_a     6.59702
_cell_length_b     8.23347
_cell_length_c     8.16209
_cell_angle_alpha  59.98453
_cell_angle_beta   66.96200
_cell_angle_gamma  56.70588
_cell_volume       316.66919
_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 0.21783 0.50250 0.55888 1.00000
  Ho2 Ho 0.79300 0.01054 0.19135 1.00000
  Ho3 Ho 0.20126 0.25458 0.07213 1.00000
  Ho4 Ho 0.78217 0.49750 0.44112 1.00000
  Ho5 Ho 0.20700 0.98946 0.80865 1.00000
  Ho6 Ho 0.79874 0.74542 0.92787 1.00000
  Sb1 Sb 0.00000 0.00000 0.50000 1.00000
  Pt1 Pt 0.32149 0.19892 0.40683 1.00000
  Pt2 Pt 0.67851 0.80108 0.59317 1.00000
  Pt3 Pt 0.65896 0.17890 0.79616 1.00000
  Pt4 Pt 0.15065 0.61705 0.14766 1.00000
  Pt5 Pt 0.64818 0.39568 0.23337 1.00000
  Pt6 Pt 0.34104 0.82110 0.20384 1.00000
  Pt7 Pt 0.84935 0.38295 0.85234 1.00000
  Pt8 Pt 0.35182 0.60432 0.76663 1.00000
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