Navigation

HEAS Data Platform · Materials Science Database

LaNd2HoZn4

Alexandria ALEX

Alex-ID: agm033795378 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
LaNd2HoZn4
Alex-ID
agm033795378
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
197.54
ų
Cell a
9.0103
Å
Cell b
9.0103
Å
Cell c
9.0103
Å
α angle
33.41
°
β angle
33.41
°
γ angle
33.41
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaNd2HoZn4
La
1.00 · 12.5%
Nd
2.00 · 25.0%
Ho
1.00 · 12.5%
Zn
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0092
eV/atom
Formation energy
-0.3059
eV/atom
Corrected total energy
-26.6108
eV
Raw total energy
-26.6108
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.5089
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_43_spg5

Decomposition

LaNd2Zn3 HoZn

Computed at

2025-03-01 00:55:22

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: agm033795378).

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 agm033795378
data_agm033795378
_cell_length_a     9.01026
_cell_length_b     9.01026
_cell_length_c     9.01026
_cell_angle_alpha  33.41420
_cell_angle_beta   33.41420
_cell_angle_gamma  33.41420
_cell_volume       197.54352
_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
  Nd1 Nd 0.24865 0.24865 0.24865 1.00000
  Nd2 Nd 0.75135 0.75135 0.75135 1.00000
  Ho1 Ho 0.50000 0.50000 0.50000 1.00000
  Zn1 Zn 0.62176 0.62176 0.62176 1.00000
  Zn2 Zn 0.12734 0.12734 0.12734 1.00000
  Zn3 Zn 0.87266 0.87266 0.87266 1.00000
  Zn4 Zn 0.37824 0.37824 0.37824 1.00000
Get direct link