RbBI4
Alexandria ALEXAlex-ID: agm005773075 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2689_spg14
RbBI4
2023-07-27 10:33:06.099667
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773075).
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 agm005773075
data_agm005773075
_cell_length_a 9.74781
_cell_length_b 9.62290
_cell_length_c 11.70506
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.37742
_cell_volume 1097.93643
_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 0.50059 0.29402 0.67740 1.00000
Rb2 Rb 0.99941 0.20598 0.17740 1.00000
Rb3 Rb 0.00059 0.79402 0.82260 1.00000
Rb4 Rb 0.49941 0.70598 0.32260 1.00000
B1 B 0.97645 0.26447 0.77061 1.00000
B2 B 0.52355 0.23553 0.27061 1.00000
B3 B 0.47645 0.76447 0.72939 1.00000
B4 B 0.02355 0.73553 0.22939 1.00000
I1 I 0.81571 0.16022 0.88329 1.00000
I2 I 0.04105 0.11766 0.63124 1.00000
I3 I 0.61635 0.04575 0.18791 1.00000
I4 I 0.34267 0.17434 0.38135 1.00000
I5 I 0.88365 0.45425 0.68791 1.00000
I6 I 0.15733 0.32566 0.88135 1.00000
I7 I 0.45895 0.38234 0.13124 1.00000
I8 I 0.68429 0.33978 0.38329 1.00000
I9 I 0.31571 0.66022 0.61671 1.00000
I10 I 0.54105 0.61766 0.86876 1.00000
I11 I 0.84267 0.67434 0.11865 1.00000
I12 I 0.11635 0.54575 0.31209 1.00000
I13 I 0.65733 0.82566 0.61865 1.00000
I14 I 0.38365 0.95425 0.81209 1.00000
I15 I 0.95895 0.88234 0.36876 1.00000
I16 I 0.18429 0.83978 0.11671 1.00000
