Na(SO2)2
Alexandria ALEXAlex-ID: agm005284871 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1813_spg5
SO2 S8O Na2S2O7
2023-05-06 21:55:27.779876
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284871).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005284871
data_agm005284871
_cell_length_a 8.58610
_cell_length_b 8.58610
_cell_length_c 6.02754
_cell_angle_alpha 58.04853
_cell_angle_beta 58.04853
_cell_angle_gamma 47.70488
_cell_volume 268.07494
_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 0.53428 0.83035 0.27759 1.00000
Na2 Na 0.16965 0.46572 0.72241 1.00000
S1 S 0.99980 0.01391 0.68647 1.00000
S2 S 0.98609 0.00020 0.31353 1.00000
S3 S 0.02903 0.30083 0.42734 1.00000
S4 S 0.69917 0.97097 0.57266 1.00000
O1 O 0.81481 0.46703 0.37411 1.00000
O2 O 0.53297 0.18519 0.62589 1.00000
O3 O 0.07269 0.33340 0.59734 1.00000
O4 O 0.66660 0.92731 0.40266 1.00000
O5 O 0.21302 0.22957 0.18731 1.00000
O6 O 0.77043 0.78698 0.81269 1.00000
O7 O 0.18688 0.77343 0.31172 1.00000
O8 O 0.22657 0.81312 0.68828 1.00000
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