Rb3Tl2Hg9
Alexandria ALEXAlex-ID: agm005604576 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_126_spg71
Rb2TlHg6 Tl
2023-06-14 21:40:55.836082
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604576).
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 agm005604576
data_agm005604576
_cell_length_a 5.52799
_cell_length_b 9.98764
_cell_length_c 9.98764
_cell_angle_alpha 63.61129
_cell_angle_beta 73.93417
_cell_angle_gamma 73.93417
_cell_volume 467.04961
_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 0.00000 1.00000
Rb2 Rb 0.71508 0.28492 0.28492 1.00000
Rb3 Rb 0.28492 0.71508 0.71508 1.00000
Tl1 Tl 0.50000 0.32657 0.67343 1.00000
Tl2 Tl 0.50000 0.67343 0.32657 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.66206 0.98562 0.69026 1.00000
Hg3 Hg 0.33794 0.01438 0.30974 1.00000
Hg4 Hg 0.66206 0.69026 0.98562 1.00000
Hg5 Hg 0.33794 0.30974 0.01438 1.00000
Hg6 Hg 0.85742 0.84782 0.43733 1.00000
Hg7 Hg 0.14258 0.15218 0.56267 1.00000
Hg8 Hg 0.85742 0.43733 0.84782 1.00000
Hg9 Hg 0.14258 0.56267 0.15218 1.00000
Get direct link