Na4S2O5
Alexandria ALEXAlex-ID: agm005508473 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_132_spg1
Na2S Na2SO4
2023-03-15 11:50:28.893899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508473).
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 agm005508473
data_agm005508473
_cell_length_a 4.75245
_cell_length_b 5.38498
_cell_length_c 7.24398
_cell_angle_alpha 90.07085
_cell_angle_beta 91.17287
_cell_angle_gamma 116.49125
_cell_volume 165.87592
_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 0.62762 0.29524 0.23590 1.00000
Na2 Na 0.98655 0.01941 0.99581 1.00000
Na3 Na 0.95951 0.99679 0.50205 1.00000
Na4 Na 0.31352 0.70242 0.74591 1.00000
S1 S 0.62223 0.34166 0.72830 1.00000
S2 S 0.33602 0.68489 0.24807 1.00000
O1 O 0.55859 0.17025 0.91995 1.00000
O2 O 0.80103 0.67403 0.77045 1.00000
O3 O 0.33879 0.83364 0.43114 1.00000
O4 O 0.15477 0.36739 0.27922 1.00000
O5 O 0.68136 0.74128 0.22920 1.00000
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