RhSe2I
Alexandria ALEXAlex-ID: agm003144136 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_2825_spg15
Rh3Se8 I RhI3
2015-11-22 00:36:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003144136).
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 agm003144136
data_agm003144136
_cell_length_a 15.09244
_cell_length_b 9.65926
_cell_length_c 9.65926
_cell_angle_alpha 77.07005
_cell_angle_beta 116.38220
_cell_angle_gamma 63.61780
_cell_volume 961.93978
_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
I1 I 0.11480 0.16547 0.25724 1.00000
I2 I 0.38520 0.75724 0.66547 1.00000
I3 I 0.88520 0.83453 0.74276 1.00000
I4 I 0.61480 0.24276 0.33453 1.00000
I5 I 0.45092 0.27193 0.82642 1.00000
I6 I 0.04908 0.32642 0.77193 1.00000
I7 I 0.54908 0.72807 0.17358 1.00000
I8 I 0.95092 0.67358 0.22807 1.00000
Rh1 Rh 0.37033 0.40275 0.18172 1.00000
Rh2 Rh 0.12967 0.68172 0.90275 1.00000
Rh3 Rh 0.62967 0.59725 0.81828 1.00000
Rh4 Rh 0.87033 0.31828 0.09725 1.00000
Rh5 Rh 0.24577 0.16564 0.12127 1.00000
Rh6 Rh 0.25423 0.62127 0.66564 1.00000
Rh7 Rh 0.75423 0.83436 0.87873 1.00000
Rh8 Rh 0.74577 0.37873 0.33436 1.00000
Se1 Se 0.03981 0.83851 0.57081 1.00000
Se2 Se 0.46019 0.07081 0.33851 1.00000
Se3 Se 0.96019 0.16149 0.42919 1.00000
Se4 Se 0.53981 0.92919 0.66149 1.00000
Se5 Se 0.69584 0.33702 0.07159 1.00000
Se6 Se 0.80416 0.57159 0.83702 1.00000
Se7 Se 0.30416 0.66298 0.92841 1.00000
Se8 Se 0.19584 0.42841 0.16298 1.00000
Se9 Se 0.36252 0.84342 0.23450 1.00000
Se10 Se 0.13748 0.73450 0.34342 1.00000
Se11 Se 0.63748 0.15658 0.76550 1.00000
Se12 Se 0.86252 0.26550 0.65658 1.00000
Se13 Se 0.75000 0.29814 0.79814 1.00000
Se14 Se 0.25000 0.70186 0.20186 1.00000
Se15 Se 0.75000 0.60169 0.10169 1.00000
Se16 Se 0.25000 0.39831 0.89831 1.00000
