Rb2ZnHg5
Alexandria ALEXAlex-ID: agm003471069 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_424_spg107
Rb2Hg7 RbHg2 Zn
2022-03-24 16:09:11.503093
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003471069).
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 agm003471069
data_agm003471069
_cell_length_a 6.92968
_cell_length_b 6.93097
_cell_length_c 7.72203
_cell_angle_alpha 116.66950
_cell_angle_beta 116.66297
_cell_angle_gamma 89.99462
_cell_volume 286.61699
_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 0.28381 0.78379 0.56767 1.00000
Rb2 Rb 0.78385 0.28384 0.56772 1.00000
Zn1 Zn 0.90940 0.90940 0.81873 1.00000
Hg1 Hg 0.78298 0.27725 0.06028 1.00000
Hg2 Hg 0.27733 0.27729 0.06027 1.00000
Hg3 Hg 0.78302 0.78304 0.06032 1.00000
Hg4 Hg 0.27729 0.78305 0.06032 1.00000
Hg5 Hg 0.67933 0.67934 0.35869 1.00000
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