Navigation

HEAS Data Platform · Materials Science Database

Ho6Cd2Pt

Alexandria ALEX

Alex-ID: agm003487633 · Space group: P2_1/c (#14)

Basic Information

Formula
Ho6Cd2Pt
Alex-ID
agm003487633
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
523.28
ų
Cell a
6.7937
Å
Cell b
7.3980
Å
Cell c
10.4183
Å
α angle
90.00
°
β angle
87.95
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Cd2Pt
Ho
12.00 · 66.7%
Cd
4.00 · 22.2%
Pt
2.00 · 11.1%

Energy & Stability

Energy above hull
0.1739
eV/atom
Formation energy
-0.3058
eV/atom
Corrected total energy
-76.3177
eV
Raw total energy
-76.3177
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0490
eV
DOS at Fermi level
18.9250
Total magnetisation
-0.0003
μB

Additional Information

Prototype ID

AB2C6_647_spg14

Decomposition

Ho2Cd Ho4CdPt

Computed at

2022-02-23 17:55:30.010186

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: agm003487633).

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 agm003487633
data_agm003487633
_cell_length_a     6.79369
_cell_length_b     7.39800
_cell_length_c     10.41826
_cell_angle_alpha  90.00000
_cell_angle_beta   87.95282
_cell_angle_gamma  90.00000
_cell_volume       523.28453
_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 0.88483 0.99305 0.24547 1.00000
  Ho2 Ho 0.81376 0.67662 0.54380 1.00000
  Ho3 Ho 0.83975 0.69688 0.95985 1.00000
  Ho4 Ho 0.66025 0.19688 0.54015 1.00000
  Ho5 Ho 0.68624 0.17662 0.95620 1.00000
  Ho6 Ho 0.61517 0.49305 0.25453 1.00000
  Ho7 Ho 0.11517 0.00695 0.75453 1.00000
  Ho8 Ho 0.18624 0.32338 0.45620 1.00000
  Ho9 Ho 0.16025 0.30312 0.04015 1.00000
  Ho10 Ho 0.33975 0.80312 0.45985 1.00000
  Ho11 Ho 0.31376 0.82338 0.04380 1.00000
  Ho12 Ho 0.38483 0.50695 0.74547 1.00000
  Cd1 Cd 0.93949 0.40064 0.74783 1.00000
  Cd2 Cd 0.56051 0.90064 0.75217 1.00000
  Cd3 Cd 0.43949 0.09936 0.24783 1.00000
  Cd4 Cd 0.06051 0.59936 0.25217 1.00000
  Pt1 Pt 0.50000 0.50000 0.00000 1.00000
  Pt2 Pt 0.00000 0.00000 0.50000 1.00000
Get direct link