Rb2In3Br8
Alexandria ALEXAlex-ID: agm005617153 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_309_spg12
RbInBr3 In2Br3 RbInBr4
2023-06-15 14:53:18.764525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005617153).
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 agm005617153
data_agm005617153
_cell_length_a 7.60651
_cell_length_b 8.06683
_cell_length_c 8.98178
_cell_angle_alpha 94.46908
_cell_angle_beta 90.00000
_cell_angle_gamma 118.12963
_cell_volume 484.12738
_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 0.69809 0.39618 0.61656 1.00000
Rb2 Rb 0.30191 0.60382 0.38344 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
In2 In 0.21253 1.00000 0.00000 1.00000
In3 In 0.78747 0.00000 1.00000 1.00000
Br1 Br 0.37501 0.75002 0.03408 1.00000
Br2 Br 0.62499 0.24998 0.96592 1.00000
Br3 Br 0.84441 0.68881 0.30823 1.00000
Br4 Br 0.15559 0.31119 0.69177 1.00000
Br5 Br 0.82999 0.15815 0.32860 1.00000
Br6 Br 0.32816 0.15815 0.32860 1.00000
Br7 Br 0.67184 0.84185 0.67140 1.00000
Br8 Br 0.17001 0.84185 0.67140 1.00000
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