ReCl4
Alexandria ALEXAlex-ID: agm005545183 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_604_spg72
ReCl5 ReCl3
2023-05-28 23:22:59.834450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545183).
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
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# CIF generated by HEAS from Alexandria entry agm005545183
data_agm005545183
_cell_length_a 5.95638
_cell_length_b 7.02904
_cell_length_c 8.14599
_cell_angle_alpha 115.55931
_cell_angle_beta 111.44489
_cell_angle_gamma 89.99948
_cell_volume 281.27912
_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 0.75000 0.00000 0.00001 1.00000
Re2 Re 0.25000 1.00000 0.99999 1.00000
Cl1 Cl 0.60598 0.90329 0.21195 1.00000
Cl2 Cl 0.10598 0.30867 0.21195 1.00000
Cl3 Cl 0.39409 0.69148 0.78817 1.00000
Cl4 Cl 0.89408 0.09669 0.78817 1.00000
Cl5 Cl 0.60591 0.30852 0.21183 1.00000
Cl6 Cl 0.10592 0.90331 0.21183 1.00000
Cl7 Cl 0.89402 0.69133 0.78805 1.00000
Cl8 Cl 0.39402 0.09671 0.78805 1.00000
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