La6Ag5Ru
Alexandria ALEXAlex-ID: agm006136339 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
La3AgRu La5Ag2Ru LaAg2
2023-09-05 07:07:21.887031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136339).
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 agm006136339
data_agm006136339
_cell_length_a 5.31306
_cell_length_b 7.60797
_cell_length_c 8.43910
_cell_angle_alpha 89.99984
_cell_angle_beta 108.59188
_cell_angle_gamma 90.00012
_cell_volume 323.31974
_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
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.67414 0.50000 0.34262 1.00000
Ag2 Ag 0.31490 1.00000 0.63551 1.00000
Ag3 Ag 0.00000 0.50000 0.00000 1.00000
Ag4 Ag 0.68510 0.00000 0.36449 1.00000
Ag5 Ag 0.32586 0.50000 0.65738 1.00000
La1 La 0.84404 0.75979 0.69214 1.00000
La2 La 0.84404 0.24021 0.69214 1.00000
La3 La 0.50000 0.22919 1.00000 1.00000
La4 La 0.50000 0.77081 0.00000 1.00000
La5 La 0.15596 0.75979 0.30786 1.00000
La6 La 0.15596 0.24021 0.30786 1.00000
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