RbLi2SmBr6
Alexandria ALEXAlex-ID: agm004955352 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Rb2SmBr5 RbSm2Br7 LiBr
2022-07-25 06:42:48.872482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004955352).
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 agm004955352
data_agm004955352
_cell_length_a 7.37821
_cell_length_b 7.36859
_cell_length_c 7.99050
_cell_angle_alpha 62.48674
_cell_angle_beta 62.44306
_cell_angle_gamma 59.97758
_cell_volume 318.07430
_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 0.79453 0.79410 0.61672 1.00000
Li1 Li 0.51916 0.51980 0.44179 1.00000
Li2 Li 0.00762 0.00895 0.97405 1.00000
Sm1 Sm 0.32092 0.32051 0.03805 1.00000
Br1 Br 0.60176 0.26182 0.23112 1.00000
Br2 Br 0.26216 0.90471 0.23162 1.00000
Br3 Br 0.90514 0.60195 0.23123 1.00000
Br4 Br 0.31739 0.74340 0.75003 1.00000
Br5 Br 0.74345 0.18927 0.74996 1.00000
Br6 Br 0.18946 0.31709 0.75064 1.00000
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