Re2ClO8
Alexandria ALEXAlex-ID: agm006006594 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2004_spg2
ClO2 Re2O7 Cl2O
2023-09-28 23:03:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006006594).
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 agm006006594
data_agm006006594
_cell_length_a 5.87093
_cell_length_b 4.95875
_cell_length_c 8.36565
_cell_angle_alpha 82.01186
_cell_angle_beta 106.98244
_cell_angle_gamma 107.49950
_cell_volume 221.79538
_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 0.27876 0.46193 0.73220 1.00000
Re2 Re 0.72124 0.53807 0.26780 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
O1 O 0.43573 0.57639 0.15097 1.00000
O2 O 0.01311 0.21644 0.80733 1.00000
O3 O 0.23784 0.40466 0.52517 1.00000
O4 O 0.76216 0.59534 0.47483 1.00000
O5 O 0.98689 0.78356 0.19267 1.00000
O6 O 0.56427 0.42361 0.84903 1.00000
O7 O 0.27598 0.80656 0.74549 1.00000
O8 O 0.72402 0.19344 0.25451 1.00000
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