ReH3O5
Alexandria ALEXAlex-ID: agm005243801 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_467_spg1
ReH3O5
2023-05-07 16:43:51.261998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243801).
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 agm005243801
data_agm005243801
_cell_length_a 5.59708
_cell_length_b 5.97102
_cell_length_c 8.77639
_cell_angle_alpha 109.99434
_cell_angle_beta 116.40549
_cell_angle_gamma 82.60062
_cell_volume 246.77976
_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 0.89200 0.61867 0.72301 1.00000
Re2 Re 0.14605 0.41566 0.24059 1.00000
H1 H 0.30558 0.98265 0.82705 1.00000
H2 H 0.26578 0.20498 0.74216 1.00000
H3 H 0.56621 0.16864 0.90556 1.00000
H4 H 0.78639 0.81700 0.32538 1.00000
H5 H 0.52866 0.01058 0.30504 1.00000
H6 H 0.47629 0.71929 0.19330 1.00000
O1 O 0.40280 0.08590 0.79609 1.00000
O2 O 0.60658 0.86175 0.24319 1.00000
O3 O 0.03956 0.34525 0.65559 1.00000
O4 O 0.66520 0.68833 0.53189 1.00000
O5 O 0.29194 0.50698 0.12924 1.00000
O6 O 0.84825 0.26041 0.08006 1.00000
O7 O 0.06685 0.66379 0.38666 1.00000
O8 O 0.35691 0.22361 0.35473 1.00000
O9 O 0.72075 0.59374 0.84048 1.00000
O10 O 0.13936 0.84794 0.86176 1.00000
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