Rb2InBr3
Alexandria ALEXAlex-ID: agm037726240 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_900_spg71
InBr RbBr
2025-04-15 04:16:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm037726240).
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 agm037726240
data_agm037726240
_cell_length_a 8.44603
_cell_length_b 8.44603
_cell_length_c 8.44603
_cell_angle_alpha 146.34496
_cell_angle_beta 131.87747
_cell_angle_gamma 60.00469
_cell_volume 246.33689
_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 0.83336 0.83336 0.00000 1.00000
Rb2 Rb 0.16664 0.16664 0.00000 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
Br1 Br 0.33972 0.83972 0.50000 1.00000
Br2 Br 0.66028 0.16028 0.50000 1.00000
Br3 Br 0.00000 0.50000 0.50000 1.00000
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