RbZnTeCl6
Alexandria ALEXAlex-ID: agm005099062 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_171_spg1
Rb2TeCl6 ZnCl2 Te TeCl4
2022-12-14 20:09:23.924973
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099062).
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 agm005099062
data_agm005099062
_cell_length_a 6.47790
_cell_length_b 7.67971
_cell_length_c 7.17596
_cell_angle_alpha 91.58277
_cell_angle_beta 99.57653
_cell_angle_gamma 64.75884
_cell_volume 318.03158
_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 0.01609 0.05727 0.04723 1.00000
Zn1 Zn 0.41027 0.32993 0.39260 1.00000
Te1 Te 0.68437 0.67003 0.54396 1.00000
Cl1 Cl 0.02530 0.38461 0.37584 1.00000
Cl2 Cl 0.35226 0.90520 0.66089 1.00000
Cl3 Cl 0.60272 0.32143 0.68820 1.00000
Cl4 Cl 0.95663 0.65602 0.82411 1.00000
Cl5 Cl 0.39654 0.60748 0.24615 1.00000
Cl6 Cl 0.55558 0.06809 0.22094 1.00000
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