Sm8Rh3SeBr4
Alexandria ALEXAlex-ID: agm004714820 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_70_spg166
Sm2RhBr Sm7Rh3 Sm2SeBr2 Sm5Rh3
2023-02-05 09:13:47.005860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004714820).
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 agm004714820
data_agm004714820
_cell_length_a 8.33349
_cell_length_b 8.98912
_cell_length_c 8.33237
_cell_angle_alpha 117.63636
_cell_angle_beta 120.00447
_cell_angle_gamma 90.00000
_cell_volume 456.45247
_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
Sm1 Sm 0.24280 0.69808 0.95561 1.00000
Sm2 Sm 0.24276 0.69807 0.48553 1.00000
Sm3 Sm 0.26845 0.30567 0.53689 1.00000
Sm4 Sm 0.71281 0.69808 0.95561 1.00000
Sm5 Sm 0.28719 0.30192 0.04439 1.00000
Sm6 Sm 0.73155 0.69433 0.46311 1.00000
Sm7 Sm 0.75724 0.30193 0.51447 1.00000
Sm8 Sm 0.75720 0.30192 0.04439 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.50000 0.50000 0.50000 1.00000
Rh3 Rh 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.00000 0.50000 0.00000 1.00000
Br1 Br 0.50000 0.00000 0.00000 1.00000
Br2 Br 0.50000 0.00000 0.50000 1.00000
Br3 Br 0.00000 0.00000 0.00000 1.00000
Br4 Br 0.00000 0.00000 0.50000 1.00000
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