CuH10SO9
Alexandria ALEXAlex-ID: agm005262644 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC9D10_7_spg2
H10SO8 CuO
2023-05-30 06:32:27.187394
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262644).
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 agm005262644
data_agm005262644
_cell_length_a 6.47142
_cell_length_b 6.62772
_cell_length_c 11.06334
_cell_angle_alpha 103.28249
_cell_angle_beta 88.66713
_cell_angle_gamma 110.98927
_cell_volume 430.26740
_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
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.00000 0.50000 0.50000 1.00000
H1 H 0.79949 0.13573 0.84897 1.00000
H2 H 0.20051 0.86427 0.15103 1.00000
H3 H 0.82938 0.28442 0.98617 1.00000
H4 H 0.17062 0.71558 0.01383 1.00000
H5 H 0.02842 0.74690 0.80180 1.00000
H6 H 0.97158 0.25310 0.19820 1.00000
H7 H 0.77492 0.69992 0.78268 1.00000
H8 H 0.22508 0.30008 0.21732 1.00000
H9 H 0.53029 0.63375 0.62274 1.00000
H10 H 0.46971 0.36625 0.37726 1.00000
H11 H 0.55028 0.42439 0.65193 1.00000
H12 H 0.44972 0.57561 0.34807 1.00000
H13 H 0.10249 0.22721 0.60636 1.00000
H14 H 0.89751 0.77279 0.39364 1.00000
H15 H 0.84028 0.16994 0.60533 1.00000
H16 H 0.15972 0.83006 0.39467 1.00000
H17 H 0.38450 0.61997 0.92675 1.00000
H18 H 0.61550 0.38003 0.07325 1.00000
H19 H 0.71099 0.48973 0.09149 1.00000
H20 H 0.28901 0.51027 0.90851 1.00000
S1 S 0.41305 0.05785 0.74274 1.00000
S2 S 0.58695 0.94215 0.25726 1.00000
O1 O 0.37006 0.11379 0.87333 1.00000
O2 O 0.62994 0.88621 0.12667 1.00000
O3 O 0.26424 0.78908 0.71111 1.00000
O4 O 0.73576 0.21092 0.28889 1.00000
O5 O 0.33303 0.16029 0.65978 1.00000
O6 O 0.66697 0.83971 0.34022 1.00000
O7 O 0.64431 0.07496 0.72071 1.00000
O8 O 0.35569 0.92504 0.27929 1.00000
O9 O 0.89992 0.19874 0.92708 1.00000
O10 O 0.10008 0.80126 0.07292 1.00000
O11 O 0.89869 0.74513 0.85097 1.00000
O12 O 0.10131 0.25487 0.14903 1.00000
O13 O 0.64160 0.57979 0.65217 1.00000
O14 O 0.35840 0.42021 0.34783 1.00000
O15 O 0.97584 0.23786 0.56396 1.00000
O16 O 0.02416 0.76214 0.43604 1.00000
O17 O 0.70751 0.32734 0.41495 1.00000
O18 O 0.29249 0.67266 0.58505 1.00000
