La8Ru3Cl4
Alexandria ALEXAlex-ID: agm005705292 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
La4Ru La7Ru3 La3RuCl3
2023-06-29 18:13:16.251944
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705292).
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 agm005705292
data_agm005705292
_cell_length_a 8.47863
_cell_length_b 8.47863
_cell_length_c 9.21807
_cell_angle_alpha 62.61974
_cell_angle_beta 62.61974
_cell_angle_gamma 60.00001
_cell_volume 486.27707
_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 0.23134 0.23134 0.30597 1.00000
La2 La 0.21152 0.74386 0.30076 1.00000
La3 La 0.74386 0.74386 0.30076 1.00000
La4 La 0.74386 0.21152 0.30076 1.00000
La5 La 0.76866 0.76866 0.69403 1.00000
La6 La 0.78848 0.25614 0.69924 1.00000
La7 La 0.25614 0.25614 0.69924 1.00000
La8 La 0.25614 0.78848 0.69924 1.00000
Ru1 Ru 0.50000 0.00000 0.50000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
Ru3 Ru 0.00000 0.50000 0.50000 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
Cl2 Cl 0.35989 0.35989 0.92032 1.00000
Cl3 Cl 0.50000 0.50000 0.50000 1.00000
Cl4 Cl 0.64011 0.64011 0.07968 1.00000
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