Rb11CdHg2
Alexandria ALEXAlex-ID: agm005744094 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C11_1_spg72
Rb3Hg Rb2Cd3 Rb
2023-07-12 22:42:14.373433
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005744094).
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 agm005744094
data_agm005744094
_cell_length_a 13.82154
_cell_length_b 14.58505
_cell_length_c 14.58505
_cell_angle_alpha 74.26856
_cell_angle_beta 61.71709
_cell_angle_gamma 61.71709
_cell_volume 2275.94637
_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 0.65581 0.68651 0.57285 1.00000
Rb2 Rb 0.34419 0.31349 0.42715 1.00000
Rb3 Rb 0.08483 0.57285 0.68651 1.00000
Rb4 Rb 0.84419 0.92715 0.81349 1.00000
Rb5 Rb 0.91517 0.42715 0.31349 1.00000
Rb6 Rb 0.15581 0.07285 0.18651 1.00000
Rb7 Rb 0.41517 0.81349 0.92715 1.00000
Rb8 Rb 0.58483 0.18651 0.07285 1.00000
Rb9 Rb 0.50000 0.50000 0.50000 1.00000
Rb10 Rb 0.00000 0.00000 0.00000 1.00000
Rb11 Rb 0.87144 0.78022 0.21978 1.00000
Rb12 Rb 0.12856 0.21978 0.78022 1.00000
Rb13 Rb 0.62856 0.28022 0.71978 1.00000
Rb14 Rb 0.37144 0.71978 0.28022 1.00000
Rb15 Rb 0.45030 0.96413 0.35223 1.00000
Rb16 Rb 0.54970 0.03587 0.64777 1.00000
Rb17 Rb 0.23334 0.35223 0.96413 1.00000
Rb18 Rb 0.04970 0.14777 0.53587 1.00000
Rb19 Rb 0.76666 0.64777 0.03587 1.00000
Rb20 Rb 0.95030 0.85223 0.46413 1.00000
Rb21 Rb 0.26666 0.53587 0.14777 1.00000
Rb22 Rb 0.73334 0.46413 0.85223 1.00000
Cd1 Cd 0.75000 0.75000 0.75000 1.00000
Cd2 Cd 0.25000 0.25000 0.25000 1.00000
Hg1 Hg 0.64079 0.67688 0.32312 1.00000
Hg2 Hg 0.35921 0.32312 0.67688 1.00000
Hg3 Hg 0.85921 0.17688 0.82312 1.00000
Hg4 Hg 0.14079 0.82312 0.17688 1.00000
