Cs2Sm6RhBr12
Alexandria ALEXAlex-ID: agm020448922 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D12_20_spg14
Cs2Sm10Rh2Br17 Cs3SmBr6 CsSm2Br7 Sm
2025-01-30 06:34:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020448922).
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 agm020448922
data_agm020448922
_cell_length_a 9.45251
_cell_length_b 18.51243
_cell_length_c 9.41287
_cell_angle_alpha 90.00000
_cell_angle_beta 106.82016
_cell_angle_gamma 90.00000
_cell_volume 1576.67914
_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
Cs1 Cs 0.58501 0.31117 0.41975 1.00000
Cs2 Cs 0.91499 0.81117 0.58025 1.00000
Cs3 Cs 0.41499 0.68883 0.58025 1.00000
Cs4 Cs 0.08501 0.18883 0.41975 1.00000
Sm1 Sm 0.72601 0.45219 0.01705 1.00000
Sm2 Sm 0.90215 0.64357 0.98403 1.00000
Sm3 Sm 0.27399 0.54781 0.98295 1.00000
Sm4 Sm 0.59484 0.98629 0.29609 1.00000
Sm5 Sm 0.09484 0.51371 0.29609 1.00000
Sm6 Sm 0.40215 0.85643 0.98403 1.00000
Sm7 Sm 0.22601 0.04781 0.01705 1.00000
Sm8 Sm 0.59785 0.14357 0.01597 1.00000
Sm9 Sm 0.77399 0.95219 0.98295 1.00000
Sm10 Sm 0.40516 0.01371 0.70391 1.00000
Sm11 Sm 0.90516 0.48629 0.70391 1.00000
Sm12 Sm 0.09785 0.35643 0.01597 1.00000
Rh1 Rh 0.00000 0.50000 0.00000 1.00000
Rh2 Rh 0.50000 0.00000 0.00000 1.00000
Br1 Br 0.10409 0.05738 0.69641 1.00000
Br2 Br 0.31162 0.20453 0.06457 1.00000
Br3 Br 0.48558 0.16975 0.69648 1.00000
Br4 Br 0.18838 0.70453 0.93543 1.00000
Br5 Br 0.60409 0.44262 0.69641 1.00000
Br6 Br 0.18912 0.53260 0.64881 1.00000
Br7 Br 0.81088 0.46740 0.35119 1.00000
Br8 Br 0.90877 0.09956 0.01736 1.00000
Br9 Br 0.39591 0.55738 0.30359 1.00000
Br10 Br 0.29506 0.86193 0.65670 1.00000
Br11 Br 0.20494 0.36193 0.34330 1.00000
Br12 Br 0.01442 0.66975 0.30352 1.00000
Br13 Br 0.59123 0.59956 0.98264 1.00000
Br14 Br 0.31088 0.03260 0.35119 1.00000
Br15 Br 0.68838 0.79547 0.93543 1.00000
Br16 Br 0.81162 0.29547 0.06457 1.00000
Br17 Br 0.09123 0.90044 0.98264 1.00000
Br18 Br 0.40877 0.40044 0.01736 1.00000
Br19 Br 0.89591 0.94262 0.30359 1.00000
Br20 Br 0.79506 0.63807 0.65670 1.00000
Br21 Br 0.70494 0.13807 0.34330 1.00000
Br22 Br 0.51442 0.83025 0.30352 1.00000
Br23 Br 0.68912 0.96740 0.64881 1.00000
Br24 Br 0.98558 0.33025 0.69648 1.00000
