NaPH4SO8
Alexandria ALEXAlex-ID: agm003239663 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4E8_2_spg4
NaPH4SO8
2021-12-23 20:08:48.255622
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239663).
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 agm003239663
data_agm003239663
_cell_length_a 6.83740
_cell_length_b 5.48986
_cell_length_c 9.12396
_cell_angle_alpha 85.24751
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 341.30309
_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 0.84639 0.98647 0.43439 1.00000
Na2 Na 0.34639 0.01353 0.56561 1.00000
P1 P 0.11928 0.88733 0.87652 1.00000
P2 P 0.61928 0.11267 0.12348 1.00000
H1 H 0.50053 0.91533 0.93480 1.00000
H2 H 0.43288 0.83102 0.25340 1.00000
H3 H 0.91183 0.58101 0.84720 1.00000
H4 H 0.39668 0.56845 0.78147 1.00000
H5 H 0.89668 0.43155 0.21853 1.00000
H6 H 0.41183 0.41899 0.15280 1.00000
H7 H 0.93288 0.16898 0.74660 1.00000
H8 H 0.00053 0.08467 0.06520 1.00000
S1 S 0.13411 0.53859 0.35887 1.00000
S2 S 0.63411 0.46141 0.64113 1.00000
O1 O 0.62475 0.95079 0.99162 1.00000
O2 O 0.52636 0.97147 0.26502 1.00000
O3 O 0.32864 0.82639 0.83540 1.00000
O4 O 0.63261 0.71515 0.57832 1.00000
O5 O 0.99499 0.65654 0.92328 1.00000
O6 O 0.12748 0.72339 0.46528 1.00000
O7 O 0.93917 0.58333 0.26871 1.00000
O8 O 0.30117 0.58796 0.25574 1.00000
O9 O 0.80117 0.41204 0.74426 1.00000
O10 O 0.43917 0.41667 0.73129 1.00000
O11 O 0.62748 0.27661 0.53472 1.00000
O12 O 0.49499 0.34346 0.07672 1.00000
O13 O 0.13261 0.28485 0.42168 1.00000
O14 O 0.82864 0.17361 0.16460 1.00000
O15 O 0.02636 0.02853 0.73498 1.00000
O16 O 0.12475 0.04921 0.00838 1.00000
