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Ho3Cu3Pt

Alexandria ALEX

Alex-ID: agm005963413 · Space group: Cmcm (#63)

Basic Information

Formula
Ho3Cu3Pt
Alex-ID
agm005963413
Elements
3
Sites
14
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
279.21
ų
Cell a
3.9238
Å
Cell b
5.3835
Å
Cell c
14.1940
Å
α angle
90.00
°
β angle
90.00
°
γ angle
111.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Cu3Pt
Ho
6.00 · 42.9%
Cu
6.00 · 42.9%
Pt
2.00 · 14.3%

Energy & Stability

Energy above hull
0.0886
eV/atom
Formation energy
-0.4756
eV/atom
Corrected total energy
-71.2649
eV
Raw total energy
-71.2649
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0157
eV
DOS at Fermi level
9.5283
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C3_63_spg63

Decomposition

Ho2CuPt HoCu2

Computed at

2023-08-04 23:34:05.379061

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: agm005963413).

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 agm005963413
data_agm005963413
_cell_length_a     3.92377
_cell_length_b     5.38349
_cell_length_c     14.19401
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  111.37229
_cell_volume       279.21002
_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 0.16962 0.33924 0.90660 1.00000
  Ho2 Ho 0.83038 0.66076 0.09340 1.00000
  Ho3 Ho 0.16962 0.33924 0.59340 1.00000
  Ho4 Ho 0.83038 0.66076 0.40660 1.00000
  Ho5 Ho 0.45296 0.90593 0.75000 1.00000
  Ho6 Ho 0.54704 0.09407 0.25000 1.00000
  Cu1 Cu 0.88637 0.77274 0.89511 1.00000
  Cu2 Cu 0.11363 0.22726 0.10489 1.00000
  Cu3 Cu 0.88637 0.77274 0.60489 1.00000
  Cu4 Cu 0.11363 0.22726 0.39511 1.00000
  Cu5 Cu 0.74357 0.48714 0.75000 1.00000
  Cu6 Cu 0.25643 0.51286 0.25000 1.00000
  Pt1 Pt 0.50000 0.00000 0.00000 1.00000
  Pt2 Pt 0.50000 0.00000 0.50000 1.00000
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