Sm6RhSe5
Alexandria ALEXAlex-ID: agm006122913 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_185_spg12
Sm6RhSe5
2023-09-07 03:29:50.340862
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006122913).
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
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# CIF generated by HEAS from Alexandria entry agm006122913
data_agm006122913
_cell_length_a 7.22316
_cell_length_b 7.26738
_cell_length_c 7.24944
_cell_angle_alpha 59.91813
_cell_angle_beta 80.33001
_cell_angle_gamma 70.42035
_cell_volume 310.25117
_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
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.50000 0.17358 0.65283 1.00000
Se2 Se 0.00000 0.33430 0.33140 1.00000
Se3 Se 0.50000 0.50000 0.00000 1.00000
Se4 Se 0.00000 0.66570 0.66860 1.00000
Se5 Se 0.50000 0.82642 0.34717 1.00000
Sm1 Sm 0.76092 0.07891 0.32029 1.00000
Sm2 Sm 0.23908 0.60080 0.32029 1.00000
Sm3 Sm 0.24389 0.23934 0.00000 1.00000
Sm4 Sm 0.75611 0.76066 1.00000 1.00000
Sm5 Sm 0.76092 0.39920 0.67971 1.00000
Sm6 Sm 0.23908 0.92109 0.67971 1.00000
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