Sr2GaH10ClO8
Alexandria ALEXAlex-ID: agm006323971 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8E10_26_spg9
Sr2Ga3H3O8 SrHClO Sr(HO)2 H2O
2024-12-15 19:12:02.419015
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006323971).
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 agm006323971
data_agm006323971
_cell_length_a 6.09269
_cell_length_b 6.09269
_cell_length_c 16.85515
_cell_angle_alpha 86.26265
_cell_angle_beta 93.73735
_cell_angle_gamma 119.35798
_cell_volume 543.76659
_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
Sr1 Sr 0.15206 0.81122 0.53789 1.00000
Sr2 Sr 0.18878 0.84794 0.03789 1.00000
Sr3 Sr 0.81030 0.15397 0.46289 1.00000
Sr4 Sr 0.84603 0.18970 0.96289 1.00000
Ga1 Ga 0.48133 0.48266 0.49985 1.00000
Ga2 Ga 0.51734 0.51867 0.99985 1.00000
H1 H 0.20485 0.36519 0.61806 1.00000
H2 H 0.68402 0.76273 0.61957 1.00000
H3 H 0.59103 0.27258 0.61851 1.00000
H4 H 0.63481 0.79515 0.11806 1.00000
H5 H 0.72742 0.40897 0.11851 1.00000
H6 H 0.23727 0.31598 0.11957 1.00000
H7 H 0.76131 0.60185 0.38194 1.00000
H8 H 0.27493 0.19735 0.38071 1.00000
H9 H 0.36408 0.69165 0.38199 1.00000
H10 H 0.39815 0.23869 0.88194 1.00000
H11 H 0.30835 0.63592 0.88199 1.00000
H12 H 0.80265 0.72507 0.88071 1.00000
H13 H 0.29207 0.71076 0.72010 1.00000
H14 H 0.26270 0.95518 0.72204 1.00000
H15 H 0.04482 0.73730 0.22204 1.00000
H16 H 0.28924 0.70793 0.22010 1.00000
H17 H 0.70044 0.27048 0.27890 1.00000
H18 H 0.73237 0.02744 0.27799 1.00000
H19 H 0.72952 0.29956 0.77890 1.00000
H20 H 0.97256 0.26763 0.77799 1.00000
Cl1 Cl 0.37882 0.37086 0.74828 1.00000
Cl2 Cl 0.62914 0.62118 0.24828 1.00000
O1 O 0.18195 0.41084 0.56261 1.00000
O2 O 0.73074 0.77873 0.56453 1.00000
O3 O 0.55012 0.22926 0.56296 1.00000
O4 O 0.58916 0.81805 0.06261 1.00000
O5 O 0.77074 0.44988 0.06296 1.00000
O6 O 0.22127 0.26926 0.06453 1.00000
O7 O 0.78048 0.55416 0.43750 1.00000
O8 O 0.23100 0.18540 0.43585 1.00000
O9 O 0.41234 0.73680 0.43714 1.00000
O10 O 0.44584 0.21952 0.93750 1.00000
O11 O 0.26320 0.58766 0.93714 1.00000
O12 O 0.81460 0.76900 0.93585 1.00000
O13 O 0.20070 0.79478 0.69557 1.00000
O14 O 0.20522 0.79930 0.19557 1.00000
O15 O 0.78661 0.18435 0.30571 1.00000
O16 O 0.81565 0.21339 0.80571 1.00000
