Navigation

HEAS Data Platform · Materials Science Database

La(HoZn)2

Alexandria ALEX

Alex-ID: agm039367233 · Space group: I4/mmm (#139)

Basic Information

Formula
La(HoZn)2
Alex-ID
agm039367233
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
129.35
ų
Cell a
10.1262
Å
Cell b
10.1262
Å
Cell c
10.1262
Å
α angle
159.33
°
β angle
159.33
°
γ angle
29.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La(HoZn)2
La
1.00 · 20.0%
Ho
2.00 · 40.0%
Zn
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0207
eV/atom
Formation energy
-0.2508
eV/atom
Corrected total energy
-17.8949
eV
Raw total energy
-17.8949
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.9941
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB2C2_518_spg71

Decomposition

HoZn La

Computed at

2025-04-15 03:58:48

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: agm039367233).

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 agm039367233
data_agm039367233
_cell_length_a     10.12617
_cell_length_b     10.12617
_cell_length_c     10.12617
_cell_angle_alpha  159.32645
_cell_angle_beta   159.32645
_cell_angle_gamma  29.39996
_cell_volume       129.34525
_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
  La1 La 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.81468 0.81468 0.00000 1.00000
  Ho2 Ho 0.18532 0.18532 0.00000 1.00000
  Zn1 Zn 0.60415 0.60415 0.00000 1.00000
  Zn2 Zn 0.39585 0.39585 0.00000 1.00000
Get direct link