CsHf(CuCl4)2
Alexandria ALEXAlex-ID: agm004882794 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_327_spg155
CsHf2Cl9 Cs2HfCl6 Cu3Cl4 CuCl2
2022-12-19 22:04:49.822436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004882794).
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 agm004882794
data_agm004882794
_cell_length_a 6.24350
_cell_length_b 6.24350
_cell_length_c 11.44439
_cell_angle_alpha 74.17050
_cell_angle_beta 74.17050
_cell_angle_gamma 60.00000
_cell_volume 366.68393
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.76047 0.76047 0.71859 1.00000
Cu2 Cu 0.23953 0.23953 0.28141 1.00000
Cl1 Cl 0.69332 0.69332 0.92003 1.00000
Cl2 Cl 0.30668 0.30668 0.07997 1.00000
Cl3 Cl 0.55731 0.23883 0.35376 1.00000
Cl4 Cl 0.76117 0.44269 0.64624 1.00000
Cl5 Cl 0.14991 0.76117 0.64624 1.00000
Cl6 Cl 0.23883 0.85009 0.35376 1.00000
Cl7 Cl 0.85009 0.55731 0.35376 1.00000
Cl8 Cl 0.44269 0.14991 0.64624 1.00000
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