La4Ru2I5
Alexandria ALEXAlex-ID: agm005684577 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_4_spg71
La3RuI3 LaI3 Ru
2023-06-22 12:07:11.029693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684577).
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 agm005684577
data_agm005684577
_cell_length_a 4.39270
_cell_length_b 9.09867
_cell_length_c 11.17370
_cell_angle_alpha 114.02777
_cell_angle_beta 101.33602
_cell_angle_gamma 90.00001
_cell_volume 398.33217
_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 0.67462 0.67462 0.34925 1.00000
La2 La 0.00000 0.29028 0.00000 1.00000
La3 La 0.32538 0.32538 0.65075 1.00000
La4 La 1.00000 0.70972 1.00000 1.00000
Ru1 Ru 0.56085 0.56084 0.12170 1.00000
Ru2 Ru 0.43915 0.43916 0.87830 1.00000
I1 I 0.16776 0.38577 0.33552 1.00000
I2 I 0.83224 0.61423 0.66448 1.00000
I3 I 0.16776 0.94975 0.33552 1.00000
I4 I 0.50000 0.00000 0.00000 1.00000
I5 I 0.83224 0.05025 0.66448 1.00000
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