Rb(ScI3)2
Alexandria ALEXAlex-ID: agm005690274 · Space group: P-31m (#162)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_187_spg162
Rb3Sc2I9 Sc2I3 ScI3
2023-07-09 08:18:06.424588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690274).
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 agm005690274
data_agm005690274
_cell_length_a 8.48904
_cell_length_b 7.50260
_cell_length_c 7.50261
_cell_angle_alpha 119.99970
_cell_angle_beta 90.00024
_cell_angle_gamma 90.00023
_cell_volume 413.82314
_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
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.66667 0.33333 1.00000
Sc2 Sc 0.50000 0.33333 0.66667 1.00000
I1 I 0.70102 0.63787 0.63787 1.00000
I2 I 0.29898 0.63787 1.00000 1.00000
I3 I 0.29898 1.00000 0.63787 1.00000
I4 I 0.70102 0.36213 0.00000 1.00000
I5 I 0.29898 0.36213 0.36213 1.00000
I6 I 0.70102 0.00000 0.36213 1.00000
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