Al2H2O5
Alexandria ALEXAlex-ID: agm007126500 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_325_spg46
AlHO2 H2O AlO5
2024-01-27 11:43:44.763044
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007126500).
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 agm007126500
data_agm007126500
_cell_length_a 8.96910
_cell_length_b 8.96910
_cell_length_c 5.63997
_cell_angle_alpha 76.32071
_cell_angle_beta 76.32071
_cell_angle_gamma 20.23516
_cell_volume 152.32981
_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
Al1 Al 0.15427 0.62071 0.49438 1.00000
Al2 Al 0.85672 0.36555 0.82164 1.00000
Al3 Al 0.62071 0.15427 0.99438 1.00000
Al4 Al 0.36555 0.85672 0.32164 1.00000
H1 H 0.13599 0.35356 0.93129 1.00000
H2 H 0.35356 0.13599 0.43129 1.00000
H3 H 0.44139 0.55785 0.78249 1.00000
H4 H 0.55785 0.44139 0.28249 1.00000
O1 O 0.95243 0.49459 0.78413 1.00000
O2 O 0.18048 0.37922 0.57269 1.00000
O3 O 0.49459 0.95243 0.28413 1.00000
O4 O 0.37922 0.18048 0.07269 1.00000
O5 O 0.10972 0.66776 0.81811 1.00000
O6 O 0.87465 0.35362 0.14778 1.00000
O7 O 0.66776 0.10972 0.31811 1.00000
O8 O 0.35362 0.87465 0.64778 1.00000
O9 O 0.67582 0.32565 0.89749 1.00000
O10 O 0.32565 0.67582 0.39749 1.00000
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