ReCl2
Alexandria ALEXAlex-ID: agm005470126 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3144_spg12
ReCl3 Re
2023-03-24 06:05:40.015270
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005470126).
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 agm005470126
data_agm005470126
_cell_length_a 17.66895
_cell_length_b 16.37223
_cell_length_c 16.37223
_cell_angle_alpha 169.29550
_cell_angle_beta 171.29380
_cell_angle_gamma 13.50419
_cell_volume 133.06245
_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 0.35291 0.62662 0.72629 1.00000
Re2 Re 0.64709 0.37338 0.27371 1.00000
Cl1 Cl 0.61144 0.06627 0.54517 1.00000
Cl2 Cl 0.38856 0.93373 0.45483 1.00000
Cl3 Cl 0.09424 0.18696 0.90727 1.00000
Cl4 Cl 0.90576 0.81304 0.09273 1.00000
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