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Ho4Co2Pt

Alexandria ALEX

Alex-ID: agm003458014 · Space group: I-42d (#122)

Basic Information

Formula
Ho4Co2Pt
Alex-ID
agm003458014
Elements
3
Sites
14
Space group
I-42d (#122)
Crystal system
tetragonal
Volume
302.20
ų
Cell a
7.3219
Å
Cell b
7.3229
Å
Cell c
7.3232
Å
α angle
108.93
°
β angle
108.92
°
γ angle
110.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4Co2Pt
Ho
8.00 · 57.1%
Co
4.00 · 28.6%
Pt
2.00 · 14.3%

Energy & Stability

Energy above hull
0.0911
eV/atom
Formation energy
-0.4432
eV/atom
Corrected total energy
-83.5037
eV
Raw total energy
-83.5037
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0047
eV
DOS at Fermi level
3.1534
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_39_spg122

Decomposition

Ho5Co2Pt HoCo2 Ho2Pt

Computed at

2022-02-28 22:20:59.284822

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: agm003458014).

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 agm003458014
data_agm003458014
_cell_length_a     7.32193
_cell_length_b     7.32287
_cell_length_c     7.32318
_cell_angle_alpha  108.92637
_cell_angle_beta   108.92144
_cell_angle_gamma  110.56697
_cell_volume       302.19621
_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 0.99166 0.24658 0.37775 1.00000
  Ho2 Ho 0.38098 0.50356 0.24456 1.00000
  Ho3 Ho 0.86862 0.61368 0.62213 1.00000
  Ho4 Ho 0.75395 0.13114 0.74496 1.00000
  Ho5 Ho 0.38634 0.00928 0.25527 1.00000
  Ho6 Ho 0.25861 0.13601 0.75512 1.00000
  Ho7 Ho 0.49612 0.74113 0.87743 1.00000
  Ho8 Ho 0.86386 0.61886 0.12274 1.00000
  Co1 Co 0.50322 0.37498 0.62851 1.00000
  Co2 Co 0.74674 0.87500 0.37176 1.00000
  Co3 Co 0.62518 0.25152 0.12649 1.00000
  Co4 Co 0.12485 0.49862 0.87337 1.00000
  Pt1 Pt 0.25051 0.75035 0.50000 1.00000
  Pt2 Pt 0.99936 0.99929 0.99993 1.00000
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