ReH3O5
Alexandria ALEXAlex-ID: agm005290902 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_469_spg1
ReH3O5
2023-05-07 15:48:18.289400
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290902).
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 agm005290902
data_agm005290902
_cell_length_a 6.41062
_cell_length_b 6.61033
_cell_length_c 7.17116
_cell_angle_alpha 112.12600
_cell_angle_beta 118.04699
_cell_angle_gamma 93.68536
_cell_volume 237.37429
_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
Re1 Re 0.88811 0.15915 0.77754 1.00000
Re2 Re 0.10783 0.90262 0.27108 1.00000
H1 H 0.27372 0.42968 0.61811 1.00000
H2 H 0.53640 0.64547 0.85339 1.00000
H3 H 0.33641 0.67928 0.61315 1.00000
H4 H 0.45266 0.34643 0.13451 1.00000
H5 H 0.66168 0.30452 0.36376 1.00000
H6 H 0.69095 0.26054 0.12735 1.00000
O1 O 0.35666 0.60234 0.71889 1.00000
O2 O 0.63430 0.35217 0.23629 1.00000
O3 O 0.70569 0.26590 0.58390 1.00000
O4 O 0.88958 0.89043 0.61107 1.00000
O5 O 0.80325 0.71849 0.07204 1.00000
O6 O 0.22821 0.93496 0.10900 1.00000
O7 O 0.29410 0.78390 0.44758 1.00000
O8 O 0.11521 0.17455 0.45481 1.00000
O9 O 0.19220 0.34536 0.97309 1.00000
O10 O 0.76217 0.13820 0.94388 1.00000
Get direct link