VH10S2(NO4)2
Alexandria ALEXAlex-ID: agm005289742 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D8E10_11_spg14
VS4 VHO2 H8S(NO2)2 H2O V2(SO4)3
2023-05-21 06:34:00.001090
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289742).
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 agm005289742
data_agm005289742
_cell_length_a 13.27896
_cell_length_b 5.18795
_cell_length_c 7.71570
_cell_angle_alpha 58.00388
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 450.78936
_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
V1 V 0.00000 0.00000 0.50000 1.00000
V2 V 0.50000 0.00000 0.00000 1.00000
H1 H 0.81093 0.16515 0.84711 1.00000
H2 H 0.59290 0.77081 0.34619 1.00000
H3 H 0.18050 0.68544 0.40587 1.00000
H4 H 0.18907 0.83485 0.15289 1.00000
H5 H 0.71018 0.13873 0.72805 1.00000
H6 H 0.25826 0.51670 0.31956 1.00000
H7 H 0.21018 0.86127 0.77195 1.00000
H8 H 0.75826 0.48330 0.18044 1.00000
H9 H 0.68907 0.16515 0.34711 1.00000
H10 H 0.31950 0.68544 0.90587 1.00000
H11 H 0.90710 0.77081 0.84619 1.00000
H12 H 0.31093 0.83485 0.65289 1.00000
H13 H 0.09290 0.22919 0.15381 1.00000
H14 H 0.68050 0.31456 0.09413 1.00000
H15 H 0.24174 0.51670 0.81956 1.00000
H16 H 0.78982 0.13873 0.22805 1.00000
H17 H 0.74174 0.48330 0.68044 1.00000
H18 H 0.28982 0.86127 0.27195 1.00000
H19 H 0.40710 0.22919 0.65381 1.00000
H20 H 0.81950 0.31456 0.59413 1.00000
S1 S 0.94277 0.71523 0.23140 1.00000
S2 S 0.55723 0.71523 0.73140 1.00000
S3 S 0.44277 0.28477 0.26860 1.00000
S4 S 0.05723 0.28477 0.76860 1.00000
N1 N 0.22927 0.72264 0.28848 1.00000
N2 N 0.27073 0.72264 0.78848 1.00000
N3 N 0.72927 0.27736 0.21152 1.00000
N4 N 0.77073 0.27736 0.71152 1.00000
O1 O 0.41114 0.21485 0.78658 1.00000
O2 O 0.86228 0.79092 0.07079 1.00000
O3 O 0.91494 0.38318 0.41060 1.00000
O4 O 0.09002 0.08843 0.67693 1.00000
O5 O 0.59002 0.91157 0.82307 1.00000
O6 O 0.41494 0.61682 0.08940 1.00000
O7 O 0.36228 0.20908 0.42921 1.00000
O8 O 0.91114 0.78515 0.71342 1.00000
O9 O 0.08886 0.21485 0.28658 1.00000
O10 O 0.63772 0.79092 0.57079 1.00000
O11 O 0.58506 0.38318 0.91060 1.00000
O12 O 0.40998 0.08843 0.17693 1.00000
O13 O 0.90998 0.91157 0.32307 1.00000
O14 O 0.08506 0.61682 0.58940 1.00000
O15 O 0.13772 0.20908 0.92921 1.00000
O16 O 0.58886 0.78515 0.21342 1.00000
