RbNaS14
Alexandria ALEXAlex-ID: agm005755889 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_101_spg74
RbS7 NaS6 NaS9
2023-07-23 22:11:03.060638
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755889).
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 agm005755889
data_agm005755889
_cell_length_a 12.25134
_cell_length_b 12.25134
_cell_length_c 12.25134
_cell_angle_alpha 145.19005
_cell_angle_beta 86.01066
_cell_angle_gamma 104.39000
_cell_volume 986.26759
_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
Rb1 Rb 0.19746 0.75000 0.44746 1.00000
Rb2 Rb 0.80254 0.25000 0.55254 1.00000
Na1 Na 0.50000 0.00000 0.00000 1.00000
Na2 Na 0.50000 0.50000 0.50000 1.00000
S1 S 0.20981 0.31489 0.89492 1.00000
S2 S 0.79019 0.68511 0.10508 1.00000
S3 S 0.91997 0.81489 0.10508 1.00000
S4 S 0.08003 0.18511 0.89492 1.00000
S5 S 0.47232 0.84321 0.62912 1.00000
S6 S 0.52768 0.15679 0.37088 1.00000
S7 S 0.71409 0.34321 0.37088 1.00000
S8 S 0.28591 0.65679 0.62912 1.00000
S9 S 0.73435 0.90137 0.83298 1.00000
S10 S 0.26565 0.09863 0.16702 1.00000
S11 S 0.56839 0.40137 0.16702 1.00000
S12 S 0.43161 0.59863 0.83298 1.00000
S13 S 0.16891 0.63578 0.07328 1.00000
S14 S 0.83109 0.90437 0.46687 1.00000
S15 S 0.06250 0.13578 0.46687 1.00000
S16 S 0.93750 0.40437 0.07328 1.00000
S17 S 0.83109 0.36422 0.92672 1.00000
S18 S 0.16891 0.09563 0.53313 1.00000
S19 S 0.93750 0.86422 0.53313 1.00000
S20 S 0.06250 0.59563 0.92672 1.00000
S21 S 0.78450 0.10370 0.12882 1.00000
S22 S 0.21550 0.34432 0.31919 1.00000
S23 S 0.47488 0.60370 0.31919 1.00000
S24 S 0.52512 0.84432 0.12882 1.00000
S25 S 0.21550 0.89630 0.87118 1.00000
S26 S 0.78450 0.65568 0.68081 1.00000
S27 S 0.52512 0.39630 0.68081 1.00000
S28 S 0.47488 0.15568 0.87118 1.00000
