Rb5Sm2Br12
Alexandria ALEXAlex-ID: agm005653330 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_285_spg12
RbBr3 Rb3SmBr6 Rb2SmBr5
2023-06-23 02:30:50.321306
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653330).
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 agm005653330
data_agm005653330
_cell_length_a 8.43950
_cell_length_b 10.45748
_cell_length_c 11.16184
_cell_angle_alpha 106.65726
_cell_angle_beta 90.00000
_cell_angle_gamma 113.79809
_cell_volume 855.96445
_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 0.29206 0.58412 0.63937 1.00000
Rb2 Rb 0.30673 0.61347 0.16283 1.00000
Rb3 Rb 0.00000 0.00000 0.50000 1.00000
Rb4 Rb 0.69327 0.38653 0.83717 1.00000
Rb5 Rb 0.70794 0.41588 0.36063 1.00000
Sm1 Sm 0.74974 1.00000 0.00000 1.00000
Sm2 Sm 0.25026 0.00000 1.00000 1.00000
Br1 Br 0.00415 0.00831 0.17950 1.00000
Br2 Br 0.10409 0.69046 0.92587 1.00000
Br3 Br 0.58637 0.69046 0.92587 1.00000
Br4 Br 0.12967 0.71097 0.43332 1.00000
Br5 Br 0.58130 0.71097 0.43332 1.00000
Br6 Br 0.49592 0.99184 0.81736 1.00000
Br7 Br 0.50408 0.00816 0.18264 1.00000
Br8 Br 0.87033 0.28903 0.56668 1.00000
Br9 Br 0.41870 0.28903 0.56668 1.00000
Br10 Br 0.89591 0.30954 0.07413 1.00000
Br11 Br 0.41363 0.30954 0.07413 1.00000
Br12 Br 0.99585 0.99169 0.82050 1.00000
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