La3RuCl2
Alexandria ALEXAlex-ID: agm005671877 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5_spg15
La4Ru La7Ru3 La3RuCl3
2023-08-17 06:50:05.762077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671877).
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 agm005671877
data_agm005671877
_cell_length_a 7.27698
_cell_length_b 7.94174
_cell_length_c 7.27632
_cell_angle_alpha 81.29866
_cell_angle_beta 59.99708
_cell_angle_gamma 72.38979
_cell_volume 347.09748
_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 0.56943 0.21150 0.35938 1.00000
La2 La 0.71001 0.78971 1.00000 1.00000
La3 La 0.43057 0.78850 0.64062 1.00000
La4 La 0.07119 0.78850 0.35938 1.00000
La5 La 0.92881 0.21150 0.64062 1.00000
La6 La 0.28999 0.21029 0.00000 1.00000
Ru1 Ru 0.33309 0.00000 0.33381 1.00000
Ru2 Ru 0.66691 1.00000 0.66619 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
Cl2 Cl 0.50000 0.50000 0.00000 1.00000
Cl3 Cl 0.83516 0.50000 0.32968 1.00000
Cl4 Cl 0.16484 0.50000 0.67032 1.00000
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