NaAgSO5
Alexandria ALEXAlex-ID: agm005276969 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_323_spg2
Ag2SO4 AgO5 Na2SO4 Ag3(SO4)2
2023-05-07 11:12:15.785924
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005276969).
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 agm005276969
data_agm005276969
_cell_length_a 5.45593
_cell_length_b 5.96242
_cell_length_c 8.81951
_cell_angle_alpha 97.51871
_cell_angle_beta 106.07624
_cell_angle_gamma 90.27090
_cell_volume 273.06081
_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 0.45203 0.19546 0.71400 1.00000
Na2 Na 0.54797 0.80454 0.28600 1.00000
Ag1 Ag 0.80177 0.74531 0.97287 1.00000
Ag2 Ag 0.19823 0.25469 0.02713 1.00000
S1 S 0.66608 0.27287 0.11633 1.00000
S2 S 0.33392 0.72713 0.88367 1.00000
O1 O 0.76678 0.49923 0.20974 1.00000
O2 O 0.23322 0.50077 0.79026 1.00000
O3 O 0.76700 0.08469 0.21065 1.00000
O4 O 0.23300 0.91531 0.78935 1.00000
O5 O 0.76969 0.24371 0.96759 1.00000
O6 O 0.23031 0.75629 0.03241 1.00000
O7 O 0.62008 0.82123 0.57929 1.00000
O8 O 0.37992 0.17877 0.42071 1.00000
O9 O 0.69735 0.66221 0.65976 1.00000
O10 O 0.30265 0.33779 0.34024 1.00000
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