CrH10SO9
Alexandria ALEXAlex-ID: agm005227234 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC9D10_1_spg2
H18SO12 CrHO2 Cr2(SO4)3 S8O
2023-05-30 03:53:44.402711
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005227234).
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 agm005227234
data_agm005227234
_cell_length_a 6.08193
_cell_length_b 6.16448
_cell_length_c 11.20869
_cell_angle_alpha 77.09613
_cell_angle_beta 82.33716
_cell_angle_gamma 72.06673
_cell_volume 388.77556
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.00000 0.50000 0.50000 1.00000
H1 H 0.26299 0.11989 0.13640 1.00000
H2 H 0.73701 0.88011 0.86360 1.00000
H3 H 0.25241 0.28847 0.00303 1.00000
H4 H 0.74759 0.71153 0.99697 1.00000
H5 H 0.07009 0.69612 0.20754 1.00000
H6 H 0.92991 0.30388 0.79246 1.00000
H7 H 0.32555 0.66302 0.13634 1.00000
H8 H 0.67445 0.33698 0.86366 1.00000
H9 H 0.43577 0.40528 0.38741 1.00000
H10 H 0.56423 0.59472 0.61259 1.00000
H11 H 0.34791 0.68869 0.36945 1.00000
H12 H 0.65209 0.31131 0.63055 1.00000
H13 H 0.88307 0.18789 0.39857 1.00000
H14 H 0.11693 0.81211 0.60143 1.00000
H15 H 0.16045 0.14095 0.37132 1.00000
H16 H 0.83955 0.85905 0.62868 1.00000
H17 H 0.66121 0.40325 0.13912 1.00000
H18 H 0.33879 0.59675 0.86088 1.00000
H19 H 0.69062 0.60699 0.19567 1.00000
H20 H 0.30938 0.39301 0.80433 1.00000
S1 S 0.62431 0.99854 0.28367 1.00000
S2 S 0.37569 0.00146 0.71633 1.00000
O1 O 0.67867 0.11581 0.15643 1.00000
O2 O 0.32133 0.88419 0.84357 1.00000
O3 O 0.79038 0.76045 0.31055 1.00000
O4 O 0.20962 0.23955 0.68945 1.00000
O5 O 0.63507 0.13994 0.37355 1.00000
O6 O 0.36493 0.86006 0.62645 1.00000
O7 O 0.38302 0.97407 0.29219 1.00000
O8 O 0.61698 0.02593 0.70781 1.00000
O9 O 0.16909 0.19279 0.06504 1.00000
O10 O 0.83091 0.80721 0.93496 1.00000
O11 O 0.15525 0.70584 0.12632 1.00000
O12 O 0.84475 0.29416 0.87368 1.00000
O13 O 0.30460 0.54303 0.40136 1.00000
O14 O 0.69540 0.45697 0.59864 1.00000
O15 O 0.01913 0.23501 0.41198 1.00000
O16 O 0.98087 0.76499 0.58802 1.00000
O17 O 0.62040 0.57592 0.12933 1.00000
O18 O 0.37960 0.42408 0.87067 1.00000
