VH10S2(NO4)2
Alexandria ALEXAlex-ID: agm005223246 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D8E10_10_spg14
VS4 VHO2 H8S(NO2)2 H2O V2(SO4)3
2023-05-21 06:10:47.885319
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223246).
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 agm005223246
data_agm005223246
_cell_length_a 7.06695
_cell_length_b 6.68365
_cell_length_c 10.43544
_cell_angle_alpha 60.05768
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 427.10931
_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 0.05959 0.59545 0.20783 1.00000
H2 H 0.15996 0.38593 0.14019 1.00000
H3 H 0.64644 0.65453 0.00025 1.00000
H4 H 0.94041 0.40455 0.79217 1.00000
H5 H 0.73012 0.67658 0.61433 1.00000
H6 H 0.61481 0.25669 0.46334 1.00000
H7 H 0.23012 0.32342 0.88567 1.00000
H8 H 0.11481 0.74331 0.03666 1.00000
H9 H 0.44041 0.59545 0.70783 1.00000
H10 H 0.85356 0.65453 0.50025 1.00000
H11 H 0.34004 0.38593 0.64019 1.00000
H12 H 0.55959 0.40455 0.29217 1.00000
H13 H 0.65996 0.61407 0.35981 1.00000
H14 H 0.14644 0.34547 0.49975 1.00000
H15 H 0.88519 0.25669 0.96334 1.00000
H16 H 0.76988 0.67658 0.11433 1.00000
H17 H 0.38519 0.74331 0.53666 1.00000
H18 H 0.26988 0.32342 0.38567 1.00000
H19 H 0.84004 0.61407 0.85981 1.00000
H20 H 0.35356 0.34547 0.99975 1.00000
S1 S 0.18257 0.99664 0.23856 1.00000
S2 S 0.31743 0.99664 0.73856 1.00000
S3 S 0.68257 0.00336 0.26144 1.00000
S4 S 0.81743 0.00336 0.76144 1.00000
N1 N 0.69234 0.09468 0.09227 1.00000
N2 N 0.80766 0.09468 0.59227 1.00000
N3 N 0.19234 0.90532 0.40773 1.00000
N4 N 0.30766 0.90532 0.90773 1.00000
O1 O 0.84345 0.11095 0.30964 1.00000
O2 O 0.52629 0.37803 0.39083 1.00000
O3 O 0.72946 0.72294 0.83870 1.00000
O4 O 0.36666 0.32819 0.90919 1.00000
O5 O 0.86666 0.67181 0.59081 1.00000
O6 O 0.22946 0.27706 0.66130 1.00000
O7 O 0.02629 0.62197 0.10917 1.00000
O8 O 0.34345 0.88905 0.19036 1.00000
O9 O 0.65655 0.11095 0.80964 1.00000
O10 O 0.97371 0.37803 0.89083 1.00000
O11 O 0.77054 0.72294 0.33870 1.00000
O12 O 0.13334 0.32819 0.40919 1.00000
O13 O 0.63334 0.67181 0.09081 1.00000
O14 O 0.27054 0.27706 0.16130 1.00000
O15 O 0.47371 0.62197 0.60917 1.00000
O16 O 0.15655 0.88905 0.69036 1.00000
