Navigation

HEAS Data Platform · Materials Science Database

La2Tb3Ho5

Alexandria ALEX

Alex-ID: agm005607218 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
La2Tb3Ho5
Alex-ID
agm005607218
Elements
3
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
662.78
ų
Cell a
9.3717
Å
Cell b
9.3566
Å
Cell c
11.1821
Å
α angle
124.63
°
β angle
124.66
°
γ angle
69.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Tb3Ho5
La
4.00 · 20.0%
Tb
6.00 · 30.0%
Ho
10.00 · 50.0%

Energy & Stability

Energy above hull
0.1997
eV/atom
Formation energy
0.1926
eV/atom
Corrected total energy
-89.4360
eV
Raw total energy
-89.4360
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0099
eV
DOS at Fermi level
32.7876
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C5_183_spg15

Decomposition

Tb2Ho La3Tb5 LaHo2

Computed at

2023-06-24 19:16:57.979194

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: agm005607218).

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 agm005607218
data_agm005607218
_cell_length_a     9.37175
_cell_length_b     9.35655
_cell_length_c     11.18211
_cell_angle_alpha  124.62941
_cell_angle_beta   124.65980
_cell_angle_gamma  69.04096
_cell_volume       662.78265
_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 0.76913 0.03260 0.75433 1.00000
  La2 La 0.23087 0.96740 0.24567 1.00000
  La3 La 0.48520 0.72173 0.75433 1.00000
  La4 La 0.51480 0.27827 0.24567 1.00000
  Tb1 Tb 0.22553 0.97553 0.95106 1.00000
  Tb2 Tb 0.77447 0.02447 0.04894 1.00000
  Tb3 Tb 0.72135 0.48742 0.25634 1.00000
  Tb4 Tb 0.27865 0.51258 0.74366 1.00000
  Tb5 Tb 0.03499 0.76892 0.25634 1.00000
  Tb6 Tb 0.96501 0.23108 0.74366 1.00000
  Ho1 Ho 0.26939 0.51939 0.03878 1.00000
  Ho2 Ho 0.73061 0.48061 0.96122 1.00000
  Ho3 Ho 0.02793 0.77793 0.55587 1.00000
  Ho4 Ho 0.52266 0.27266 0.54533 1.00000
  Ho5 Ho 0.97207 0.22207 0.44413 1.00000
  Ho6 Ho 0.47734 0.72734 0.45467 1.00000
  Ho7 Ho 0.88801 0.62898 0.73721 1.00000
  Ho8 Ho 0.11199 0.37102 0.26279 1.00000
  Ho9 Ho 0.34920 0.10823 0.73721 1.00000
  Ho10 Ho 0.65080 0.89177 0.26279 1.00000
Get direct link