RbTl2InBr6
Alexandria ALEXAlex-ID: agm004936628 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_596_spg1
RbInBr4 TlBr
2022-07-21 17:25:09.463211
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004936628).
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
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# CIF generated by HEAS from Alexandria entry agm004936628
data_agm004936628
_cell_length_a 8.19113
_cell_length_b 8.19173
_cell_length_c 8.40369
_cell_angle_alpha 60.78690
_cell_angle_beta 60.77716
_cell_angle_gamma 59.88866
_cell_volume 403.02581
_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 0.81286 0.81320 0.56033 1.00000
Tl1 Tl 0.52968 0.52918 0.41232 1.00000
Tl2 Tl 0.01797 0.01805 0.94662 1.00000
In1 In 0.32434 0.32423 0.02689 1.00000
Br1 Br 0.54740 0.21642 0.24075 1.00000
Br2 Br 0.21597 0.99549 0.24116 1.00000
Br3 Br 0.99504 0.54847 0.24025 1.00000
Br4 Br 0.41542 0.66591 0.78176 1.00000
Br5 Br 0.66656 0.13526 0.78281 1.00000
Br6 Br 0.13635 0.41540 0.78231 1.00000
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