Na2RhS9
Alexandria ALEXAlex-ID: agm101787474 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_576_spg1
NaS6 Na2S5 Rh3S8
2025-05-20 07:56:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101787474).
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 agm101787474
data_agm101787474
_cell_length_a 4.20030
_cell_length_b 8.50849
_cell_length_c 8.08473
_cell_angle_alpha 104.85558
_cell_angle_beta 84.37586
_cell_angle_gamma 81.55146
_cell_volume 273.44996
_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 0.20229 0.64619 0.29789 1.00000
Na2 Na 0.21672 0.36101 0.68236 1.00000
Rh1 Rh 0.02115 0.03927 0.02475 1.00000
S1 S 0.70398 0.89212 0.16472 1.00000
S2 S 0.80224 0.47849 0.02355 1.00000
S3 S 0.70323 0.52782 0.51674 1.00000
S4 S 0.65621 0.29046 0.10249 1.00000
S5 S 0.47203 0.14144 0.89479 1.00000
S6 S 0.30060 0.07284 0.27048 1.00000
S7 S 0.21274 0.76256 0.85144 1.00000
S8 S 0.09665 0.03055 0.48507 1.00000
S9 S 0.61214 0.75725 0.68571 1.00000
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