Na2S2O7
Alexandria ALEXAlex-ID: agm003228902 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_13_spg2
Na2S2O7
2021-12-10 07:35:29.958668
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003228902).
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 agm003228902
data_agm003228902
_cell_length_a 6.86863
_cell_length_b 6.95781
_cell_length_c 7.01030
_cell_angle_alpha 83.17028
_cell_angle_beta 63.67680
_cell_angle_gamma 83.16998
_cell_volume 297.32994
_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 0.78046 0.85399 0.16542 1.00000
Na2 Na 0.21954 0.14601 0.83458 1.00000
Na3 Na 0.38176 0.33160 0.24558 1.00000
Na4 Na 0.61824 0.66840 0.75442 1.00000
S1 S 0.27275 0.83744 0.24494 1.00000
S2 S 0.72725 0.16256 0.75506 1.00000
S3 S 0.14655 0.64140 0.67894 1.00000
S4 S 0.85345 0.35860 0.32106 1.00000
O1 O 0.23524 0.44787 0.60689 1.00000
O2 O 0.76476 0.55213 0.39311 1.00000
O3 O 0.70320 0.24464 0.29632 1.00000
O4 O 0.29680 0.75536 0.70368 1.00000
O5 O 0.92611 0.64754 0.85035 1.00000
O6 O 0.07389 0.35246 0.14965 1.00000
O7 O 0.09143 0.76087 0.48242 1.00000
O8 O 0.90857 0.23913 0.51758 1.00000
O9 O 0.39027 0.98343 0.27647 1.00000
O10 O 0.60973 0.01657 0.72353 1.00000
O11 O 0.58302 0.33198 0.85071 1.00000
O12 O 0.41698 0.66802 0.14929 1.00000
O13 O 0.87115 0.08666 0.85292 1.00000
O14 O 0.12885 0.91334 0.14708 1.00000
