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Ho2Zn3Ru

Alexandria ALEX

Alex-ID: agm020153384 · Space group: Cm (#8)

Basic Information

Formula
Ho2Zn3Ru
Alex-ID
agm020153384
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
116.62
ų
Cell a
5.4880
Å
Cell b
5.4880
Å
Cell c
7.0132
Å
α angle
54.62
°
β angle
125.38
°
γ angle
134.87
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Zn3Ru
Ho
2.00 · 33.3%
Zn
3.00 · 50.0%
Ru
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0313
eV/atom
Formation energy
-0.3579
eV/atom
Corrected total energy
-24.4147
eV
Raw total energy
-24.4147
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0426
eV
DOS at Fermi level
4.0997
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_15_spg166

Decomposition

Ho2Zn3Ru

Computed at

2025-04-13 18:12:08

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: agm020153384).

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 agm020153384
data_agm020153384
_cell_length_a     5.48803
_cell_length_b     5.48803
_cell_length_c     7.01323
_cell_angle_alpha  54.62107
_cell_angle_beta   125.37893
_cell_angle_gamma  134.86805
_cell_volume       116.62426
_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 0.56119 0.43881 0.32527 1.00000
  Ho2 Ho 0.45299 0.54701 0.70832 1.00000
  Zn1 Zn 0.83759 0.16241 0.29022 1.00000
  Zn2 Zn 0.83330 0.16670 0.90102 1.00000
  Zn3 Zn 0.16781 0.83219 0.09555 1.00000
  Ru1 Ru 0.14658 0.85342 0.67962 1.00000
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