RbNaS2O7
Alexandria ALEXAlex-ID: agm022205641 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_204_spg2
RbNaS2O7
2025-01-21 16:48:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022205641).
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 agm022205641
data_agm022205641
_cell_length_a 5.97231
_cell_length_b 7.64928
_cell_length_c 7.85704
_cell_angle_alpha 102.31427
_cell_angle_beta 90.28893
_cell_angle_gamma 93.19031
_cell_volume 350.08594
_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 0.22699 0.77733 0.43356 1.00000
Rb2 Rb 0.77301 0.22267 0.56644 1.00000
Na1 Na 0.20954 0.62767 0.90032 1.00000
Na2 Na 0.79046 0.37233 0.09968 1.00000
S1 S 0.71841 0.72530 0.70801 1.00000
S2 S 0.72322 0.81525 0.09357 1.00000
S3 S 0.27678 0.18475 0.90643 1.00000
S4 S 0.28159 0.27470 0.29199 1.00000
O1 O 0.73923 0.87105 0.89940 1.00000
O2 O 0.50242 0.26538 0.89664 1.00000
O3 O 0.89772 0.68678 0.09520 1.00000
O4 O 0.49567 0.37691 0.29384 1.00000
O5 O 0.26077 0.12895 0.10060 1.00000
O6 O 0.49758 0.73462 0.10336 1.00000
O7 O 0.10228 0.31322 0.90480 1.00000
O8 O 0.50433 0.62309 0.70616 1.00000
O9 O 0.08726 0.38460 0.29956 1.00000
O10 O 0.27159 0.15383 0.41206 1.00000
O11 O 0.23059 0.01143 0.79216 1.00000
O12 O 0.72841 0.84617 0.58794 1.00000
O13 O 0.91274 0.61540 0.70044 1.00000
O14 O 0.76941 0.98857 0.20784 1.00000
