La4Ru2Pb
Alexandria ALEXAlex-ID: agm003458255 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1137_spg122
La5Ru3 LaRu2 La3RuPb
2022-02-19 06:26:47.467061
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458255).
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
@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…
# CIF generated by HEAS from Alexandria entry agm003458255
data_agm003458255
_cell_length_a 8.05912
_cell_length_b 7.96625
_cell_length_c 8.39616
_cell_angle_alpha 108.79412
_cell_angle_beta 109.78369
_cell_angle_gamma 109.47232
_cell_volume 416.78158
_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 0.91741 0.24844 0.29968 1.00000
La2 La 0.24558 0.50733 0.07371 1.00000
La3 La 0.90568 0.54842 0.67612 1.00000
La4 La 0.75428 0.99889 0.57612 1.00000
La5 La 0.37031 0.16467 0.42781 1.00000
La6 La 0.40511 0.11922 0.91394 1.00000
La7 La 0.50889 0.67373 0.81535 1.00000
La8 La 0.80416 0.65828 0.19344 1.00000
Ru1 Ru 0.65553 0.34776 0.78595 1.00000
Ru2 Ru 0.59229 0.98504 0.23780 1.00000
Ru3 Ru 0.60410 0.41267 0.29052 1.00000
Ru4 Ru 0.22573 0.34389 0.74113 1.00000
Pb1 Pb 0.25269 0.74905 0.48368 1.00000
Pb2 Pb 0.00824 0.99261 0.98476 1.00000
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