VH10SO10
Alexandria ALEXAlex-ID: agm005283607 · Space group: Pmn2_1 (#31)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC10D10_1_spg31
V4O9 V2(SO4)3 VO2 H18SO12
2024-10-19 17:44:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283607).
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 agm005283607
data_agm005283607
_cell_length_a 6.00930
_cell_length_b 7.66659
_cell_length_c 9.22185
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 424.85862
_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 0.50225 0.50000 0.72860 1.00000
V2 V 0.00225 0.00000 0.27140 1.00000
H1 H 0.12594 0.50000 0.92528 1.00000
H2 H 0.62594 0.00000 0.07472 1.00000
H3 H 0.02559 0.50000 0.76634 1.00000
H4 H 0.52559 0.00000 0.23366 1.00000
H5 H 0.51514 0.67346 0.98379 1.00000
H6 H 0.51514 0.32654 0.98379 1.00000
H7 H 0.01514 0.82654 0.01621 1.00000
H8 H 0.01514 0.17346 0.01621 1.00000
H9 H 0.69338 0.75483 0.86537 1.00000
H10 H 0.69338 0.24517 0.86537 1.00000
H11 H 0.19338 0.74517 0.13463 1.00000
H12 H 0.19338 0.25483 0.13463 1.00000
H13 H 0.30346 0.79836 0.62975 1.00000
H14 H 0.30346 0.20164 0.62975 1.00000
H15 H 0.80346 0.70164 0.37025 1.00000
H16 H 0.80346 0.29836 0.37025 1.00000
H17 H 0.31699 0.65039 0.49773 1.00000
H18 H 0.31699 0.34961 0.49773 1.00000
H19 H 0.81699 0.84961 0.50227 1.00000
H20 H 0.81699 0.15039 0.50227 1.00000
S1 S 0.46233 0.50000 0.24253 1.00000
S2 S 0.96233 0.00000 0.75747 1.00000
O1 O 0.76468 0.50000 0.67799 1.00000
O2 O 0.26468 0.00000 0.32201 1.00000
O3 O 0.16632 0.50000 0.82346 1.00000
O4 O 0.66632 0.00000 0.17654 1.00000
O5 O 0.54461 0.69447 0.87744 1.00000
O6 O 0.54461 0.30553 0.87744 1.00000
O7 O 0.04461 0.80553 0.12256 1.00000
O8 O 0.04461 0.19447 0.12256 1.00000
O9 O 0.37180 0.68704 0.59516 1.00000
O10 O 0.37180 0.31296 0.59516 1.00000
O11 O 0.87180 0.81296 0.40484 1.00000
O12 O 0.87180 0.18704 0.40484 1.00000
O13 O 0.43147 0.65862 0.14883 1.00000
O14 O 0.43147 0.34138 0.14883 1.00000
O15 O 0.93147 0.84138 0.85117 1.00000
O16 O 0.93147 0.15862 0.85117 1.00000
O17 O 0.28776 0.50000 0.35710 1.00000
O18 O 0.78776 0.00000 0.64290 1.00000
O19 O 0.68943 0.50000 0.30585 1.00000
O20 O 0.18943 0.00000 0.69415 1.00000
