RbBa4I8
Alexandria ALEXAlex-ID: agm097906233 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1439_spg8
RbBa2I5 BaI2 Ba
2025-06-18 06:58:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097906233).
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 agm097906233
data_agm097906233
_cell_length_a 4.89660
_cell_length_b 14.06328
_cell_length_c 14.83792
_cell_angle_alpha 125.81293
_cell_angle_beta 90.09493
_cell_angle_gamma 89.86464
_cell_volume 828.58617
_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 0.19207 0.88199 0.81566 1.00000
Ba1 Ba 0.19096 0.05277 0.22805 1.00000
Ba2 Ba 0.69213 0.13900 0.66911 1.00000
Ba3 Ba 0.19115 0.35727 0.05087 1.00000
Ba4 Ba 0.19130 0.61604 0.41938 1.00000
I1 I 0.69139 0.09832 0.41355 1.00000
I2 I 0.69204 0.13398 0.90221 1.00000
I3 I 0.69083 0.56223 0.22457 1.00000
I4 I 0.69194 0.66673 0.60942 1.00000
I5 I 0.20052 0.30880 0.25618 1.00000
I6 I 0.19134 0.35352 0.81201 1.00000
I7 I 0.69134 0.90442 0.02796 1.00000
I8 I 0.19298 0.92492 0.57102 1.00000
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