La6Ru2Au
Alexandria ALEXAlex-ID: agm003498144 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_761_spg12
La5RuAu2 La7Ru3
2022-03-10 16:43:50.812302
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003498144).
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 agm003498144
data_agm003498144
_cell_length_a 5.28112
_cell_length_b 5.88040
_cell_length_c 9.29118
_cell_angle_alpha 99.51445
_cell_angle_beta 90.00000
_cell_angle_gamma 116.68239
_cell_volume 253.36157
_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 0.06527 0.13054 0.83900 1.00000
La2 La 0.61971 0.23943 0.16133 1.00000
La3 La 0.38029 0.76057 0.83867 1.00000
La4 La 0.68599 0.37198 0.60609 1.00000
La5 La 0.31401 0.62802 0.39391 1.00000
La6 La 0.93473 0.86946 0.16100 1.00000
Ru1 Ru 0.72612 0.45224 0.87770 1.00000
Ru2 Ru 0.27388 0.54776 0.12230 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
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