Rb3AgI4
Alexandria ALEXAlex-ID: agm006008239 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1253_spg62
Rb2AgI3 RbI
2023-10-04 03:54:05.345779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006008239).
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 agm006008239
data_agm006008239
_cell_length_a 9.96695
_cell_length_b 11.39262
_cell_length_c 12.94890
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1470.34297
_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
I1 I 0.19861 0.97817 0.54851 1.00000
I2 I 0.69861 0.52183 0.95149 1.00000
I3 I 0.80139 0.02183 0.04851 1.00000
I4 I 0.30139 0.47817 0.45149 1.00000
I5 I 0.80139 0.02183 0.45149 1.00000
I6 I 0.30139 0.47817 0.04851 1.00000
I7 I 0.19861 0.97817 0.95149 1.00000
I8 I 0.69861 0.52183 0.54851 1.00000
I9 I 0.28414 0.26722 0.75000 1.00000
I10 I 0.78414 0.23278 0.75000 1.00000
I11 I 0.71586 0.73278 0.25000 1.00000
I12 I 0.21586 0.76722 0.25000 1.00000
I13 I 0.54963 0.86703 0.75000 1.00000
I14 I 0.04963 0.63297 0.75000 1.00000
I15 I 0.45037 0.13297 0.25000 1.00000
I16 I 0.95037 0.36703 0.25000 1.00000
Ag1 Ag 0.31485 0.01055 0.75000 1.00000
Ag2 Ag 0.81485 0.48945 0.75000 1.00000
Ag3 Ag 0.68515 0.98945 0.25000 1.00000
Ag4 Ag 0.18515 0.51055 0.25000 1.00000
Rb1 Rb 0.41615 0.56061 0.75000 1.00000
Rb2 Rb 0.91615 0.93939 0.75000 1.00000
Rb3 Rb 0.58385 0.43939 0.25000 1.00000
Rb4 Rb 0.08385 0.06061 0.25000 1.00000
Rb5 Rb 0.48469 0.79287 0.03791 1.00000
Rb6 Rb 0.98469 0.70713 0.46209 1.00000
Rb7 Rb 0.51531 0.20713 0.53791 1.00000
Rb8 Rb 0.01531 0.29287 0.96209 1.00000
Rb9 Rb 0.51531 0.20713 0.96209 1.00000
Rb10 Rb 0.01531 0.29287 0.53791 1.00000
Rb11 Rb 0.48469 0.79287 0.46209 1.00000
Rb12 Rb 0.98469 0.70713 0.03791 1.00000
