Sb(HO)2
Alexandria ALEXAlex-ID: agm005890578 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2326_spg63
Sb2O3 H2O Sb
2023-07-09 22:44:32.845591
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890578).
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 agm005890578
data_agm005890578
_cell_length_a 3.15698
_cell_length_b 4.39058
_cell_length_c 10.61175
_cell_angle_alpha 65.19825
_cell_angle_beta 98.55452
_cell_angle_gamma 89.99989
_cell_volume 131.71757
_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
Sb1 Sb 0.86334 0.52049 0.72668 1.00000
Sb2 Sb 0.13666 0.47951 0.27332 1.00000
H1 H 0.79487 0.15899 0.58973 1.00000
H2 H 0.20513 0.84101 0.41027 1.00000
H3 H 0.70582 0.33920 0.41163 1.00000
H4 H 0.29418 0.66080 0.58837 1.00000
O1 O 0.84707 0.05315 0.69414 1.00000
O2 O 0.15293 0.94685 0.30586 1.00000
O3 O 0.57054 0.61341 0.14108 1.00000
O4 O 0.42946 0.38659 0.85892 1.00000
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