NaRh5S8
Alexandria ALEXAlex-ID: agm006115795 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_3_spg8
NaRhS2 Rh2S3
2023-08-11 05:47:41.731559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115795).
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 agm006115795
data_agm006115795
_cell_length_a 3.52473
_cell_length_b 8.47525
_cell_length_c 9.44119
_cell_angle_alpha 107.82119
_cell_angle_beta 100.75838
_cell_angle_gamma 90.00000
_cell_volume 263.29156
_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
Na1 Na 0.45616 0.49606 0.91232 1.00000
Rh1 Rh 0.30310 0.67662 0.60620 1.00000
Rh2 Rh 0.70466 0.32434 0.40932 1.00000
Rh3 Rh 0.34670 0.04325 0.69341 1.00000
Rh4 Rh 0.65823 0.95432 0.31646 1.00000
Rh5 Rh 0.00448 0.00572 0.00895 1.00000
S1 S 0.23835 0.14353 0.47670 1.00000
S2 S 0.76677 0.84836 0.53354 1.00000
S3 S 0.18047 0.48313 0.36093 1.00000
S4 S 0.82849 0.51778 0.65698 1.00000
S5 S 0.07941 0.81327 0.15881 1.00000
S6 S 0.92371 0.18848 0.84743 1.00000
S7 S 0.42496 0.87776 0.84992 1.00000
S8 S 0.58451 0.12737 0.16902 1.00000
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