RuI6
Alexandria ALEXAlex-ID: agm070925549 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_396_spg212
RuI3 I
2024-08-07 06:35:51.944410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070925549).
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 agm070925549
data_agm070925549
_cell_length_a 12.06824
_cell_length_b 12.06824
_cell_length_c 12.06824
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1757.64644
_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
Ru1 Ru 0.62500 0.62500 0.62500 1.00000
Ru2 Ru 0.87500 0.37500 0.12500 1.00000
Ru3 Ru 0.37500 0.12500 0.87500 1.00000
Ru4 Ru 0.12500 0.87500 0.37500 1.00000
I1 I 0.70721 0.45647 0.24663 1.00000
I2 I 0.79279 0.54353 0.74663 1.00000
I3 I 0.29279 0.95647 0.25337 1.00000
I4 I 0.20721 0.04353 0.75337 1.00000
I5 I 0.24663 0.70721 0.45647 1.00000
I6 I 0.74663 0.79279 0.54353 1.00000
I7 I 0.25337 0.29279 0.95647 1.00000
I8 I 0.75337 0.20721 0.04353 1.00000
I9 I 0.45647 0.24663 0.70721 1.00000
I10 I 0.54353 0.74663 0.79279 1.00000
I11 I 0.95647 0.25337 0.29279 1.00000
I12 I 0.04353 0.75337 0.20721 1.00000
I13 I 0.70647 0.45721 0.50337 1.00000
I14 I 0.79353 0.54279 0.00337 1.00000
I15 I 0.20647 0.04279 0.49663 1.00000
I16 I 0.29353 0.95721 0.99663 1.00000
I17 I 0.95721 0.99663 0.29353 1.00000
I18 I 0.04279 0.49663 0.20647 1.00000
I19 I 0.54279 0.00337 0.79353 1.00000
I20 I 0.45721 0.50337 0.70647 1.00000
I21 I 0.49663 0.20647 0.04279 1.00000
I22 I 0.99663 0.29353 0.95721 1.00000
I23 I 0.50337 0.70647 0.45721 1.00000
I24 I 0.00337 0.79353 0.54279 1.00000
