Navigation

HEAS Data Platform · Materials Science Database

La(NdHo4)2

Alexandria ALEX

Alex-ID: agm005992748 · Space group: Immm (#71)

Basic Information

Formula
La(NdHo4)2
Alex-ID
agm005992748
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
362.32
ų
Cell a
5.5279
Å
Cell b
8.1556
Å
Cell c
9.4262
Å
α angle
115.63
°
β angle
107.05
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La(NdHo4)2
La
1.00 · 9.1%
Nd
2.00 · 18.2%
Ho
8.00 · 72.7%

Energy & Stability

Energy above hull
0.1252
eV/atom
Formation energy
0.1201
eV/atom
Corrected total energy
-49.7792
eV
Raw total energy
-49.7792
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.2930
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1522_spg12

Decomposition

NdHo2 Nd2Ho7 LaHo2

Computed at

2023-10-20 15:33:23

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: agm005992748).

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 agm005992748
data_agm005992748
_cell_length_a     5.52791
_cell_length_b     8.15558
_cell_length_c     9.42621
_cell_angle_alpha  115.63038
_cell_angle_beta   107.05082
_cell_angle_gamma  90.00000
_cell_volume       362.32101
_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 0.50000 0.00000 0.00000 1.00000
  Nd1 Nd 0.19966 0.69962 0.39933 1.00000
  Nd2 Nd 0.80034 0.30038 0.60067 1.00000
  Ho1 Ho 0.63987 0.84599 0.27974 1.00000
  Ho2 Ho 0.36018 0.56623 0.72035 1.00000
  Ho3 Ho 0.16129 0.16134 0.32258 1.00000
  Ho4 Ho 0.99998 0.29440 0.99997 1.00000
  Ho5 Ho 0.83871 0.83866 0.67742 1.00000
  Ho6 Ho 0.63982 0.43377 0.27965 1.00000
  Ho7 Ho 0.36013 0.15401 0.72026 1.00000
  Ho8 Ho 0.00002 0.70560 0.00003 1.00000
Get direct link