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Ho2ZnPt

Alexandria ALEX

Alex-ID: agm005604682 · Space group: P2_1/m (#11)

Basic Information

Formula
Ho2ZnPt
Alex-ID
agm005604682
Elements
3
Sites
8
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
179.17
ų
Cell a
4.5233
Å
Cell b
5.8264
Å
Cell c
7.4071
Å
α angle
113.39
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2ZnPt
Ho
4.00 · 50.0%
Zn
2.00 · 25.0%
Pt
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8330
eV/atom
Corrected total energy
-39.7104
eV
Raw total energy
-39.7104
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0052
eV
DOS at Fermi level
5.5722
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_961_spg11

Decomposition

Ho2ZnPt

Computed at

2023-07-13 18:30:09.753716

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: agm005604682).

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 agm005604682
data_agm005604682
_cell_length_a     4.52329
_cell_length_b     5.82643
_cell_length_c     7.40710
_cell_angle_alpha  113.38846
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       179.17150
_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 0.75000 0.20841 0.42655 1.00000
  Ho2 Ho 0.25000 0.79159 0.57345 1.00000
  Ho3 Ho 0.25000 0.76489 0.08535 1.00000
  Ho4 Ho 0.75000 0.23511 0.91465 1.00000
  Zn1 Zn 0.25000 0.32462 0.20240 1.00000
  Zn2 Zn 0.75000 0.67538 0.79760 1.00000
  Pt1 Pt 0.75000 0.64901 0.29218 1.00000
  Pt2 Pt 0.25000 0.35099 0.70782 1.00000
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