La3Ag2Ru
Alexandria ALEXAlex-ID: agm005708107 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2157_spg65
La5AgRu2 LaAg2 LaRu2
2023-08-29 22:35:18.393480
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708107).
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 agm005708107
data_agm005708107
_cell_length_a 5.28503
_cell_length_b 8.11571
_cell_length_c 7.67813
_cell_angle_alpha 89.99966
_cell_angle_beta 90.00135
_cell_angle_gamma 71.65433
_cell_volume 312.59103
_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 0.82315 0.35399 0.77439 1.00000
La2 La 0.49999 0.00001 0.23034 1.00000
La3 La 0.17685 0.64601 0.22561 1.00000
La4 La 0.82310 0.35399 0.22561 1.00000
La5 La 0.17690 0.64601 0.77439 1.00000
La6 La 0.50001 0.99999 0.76966 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.50000 1.00000
Ag3 Ag 0.33769 0.32363 0.50001 1.00000
Ag4 Ag 0.66231 0.67637 0.49999 1.00000
Ru1 Ru 0.36693 0.31618 1.00000 1.00000
Ru2 Ru 0.63307 0.68382 0.00000 1.00000
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