RbTh(CuCl4)2
Alexandria ALEXAlex-ID: agm004875805 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_466_spg2
Rb2ThCl6 Cu3Cl4 ThCl4 CuCl2
2022-12-20 04:37:10.664443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875805).
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 agm004875805
data_agm004875805
_cell_length_a 7.62452
_cell_length_b 7.94983
_cell_length_c 8.77965
_cell_angle_alpha 70.33644
_cell_angle_beta 67.51134
_cell_angle_gamma 55.98627
_cell_volume 402.32037
_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
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.53484 0.53973 0.64451 1.00000
Cu2 Cu 0.46516 0.46027 0.35549 1.00000
Cl1 Cl 0.13932 0.67457 0.25024 1.00000
Cl2 Cl 0.85928 0.82594 0.90477 1.00000
Cl3 Cl 0.61211 0.17792 0.23253 1.00000
Cl4 Cl 0.86068 0.32543 0.74976 1.00000
Cl5 Cl 0.14072 0.17406 0.09523 1.00000
Cl6 Cl 0.38789 0.82208 0.76747 1.00000
Cl7 Cl 0.55126 0.68169 0.36777 1.00000
Cl8 Cl 0.44874 0.31831 0.63223 1.00000
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