Navigation

HEAS Data Platform · Materials Science Database

La(RuPb)2

Alexandria ALEX

Alex-ID: agm002941815 · Space group: I4/mmm (#139)

Basic Information

Formula
La(RuPb)2
Alex-ID
agm002941815
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
118.78
ų
Cell a
4.7310
Å
Cell b
4.7310
Å
Cell c
6.2733
Å
α angle
67.85
°
β angle
67.85
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La(RuPb)2
Pb
2.00 · 40.0%
Ru
2.00 · 40.0%
La
1.00 · 20.0%

Energy & Stability

Energy above hull
0.3156
eV/atom
Formation energy
0.0031
eV/atom
Corrected total energy
-30.8803
eV
Raw total energy
-30.8803
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.9966
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_5_spg139

Decomposition

LaPb2 Ru

Computed at

2017-11-11 11:34:35

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: agm002941815).

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 agm002941815
data_agm002941815
_cell_length_a     4.73100
_cell_length_b     4.73100
_cell_length_c     6.27334
_cell_angle_alpha  67.84761
_cell_angle_beta   67.84761
_cell_angle_gamma  90.00000
_cell_volume       118.78185
_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
  Pb1 Pb 0.75000 0.25000 0.50000 1.00000
  Pb2 Pb 0.25000 0.75000 0.50000 1.00000
  Ru1 Ru 0.39081 0.39081 0.21838 1.00000
  Ru2 Ru 0.60919 0.60919 0.78162 1.00000
  La1 La 0.00000 0.00000 0.00000 1.00000
Get direct link