Rb2Tl12Cd7
Alexandria ALEXAlex-ID: agm005672281 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_27_spg147
Rb5Tl11Cd2 Tl RbCd11
2023-06-21 08:56:45.571195
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672281).
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 agm005672281
data_agm005672281
_cell_length_a 3.65710
_cell_length_b 14.22029
_cell_length_c 14.22029
_cell_angle_alpha 120.00002
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 640.44768
_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 0.24787 0.33333 0.66667 1.00000
Rb2 Rb 0.75213 0.66667 0.33333 1.00000
Tl1 Tl 0.25132 0.62359 0.08371 1.00000
Tl2 Tl 0.25132 0.46011 0.37641 1.00000
Tl3 Tl 0.25132 0.91629 0.53989 1.00000
Tl4 Tl 0.74868 0.37641 0.91629 1.00000
Tl5 Tl 0.74868 0.53989 0.62359 1.00000
Tl6 Tl 0.74868 0.08371 0.46011 1.00000
Tl7 Tl 0.24308 0.08586 0.24924 1.00000
Tl8 Tl 0.24308 0.16337 0.91414 1.00000
Tl9 Tl 0.24308 0.75076 0.83663 1.00000
Tl10 Tl 0.75692 0.91414 0.75076 1.00000
Tl11 Tl 0.75692 0.83663 0.08586 1.00000
Tl12 Tl 0.75692 0.24924 0.16337 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Cd2 Cd 0.24997 0.87932 0.29467 1.00000
Cd3 Cd 0.24997 0.41535 0.12068 1.00000
Cd4 Cd 0.24997 0.70533 0.58465 1.00000
Cd5 Cd 0.75003 0.12068 0.70533 1.00000
Cd6 Cd 0.75003 0.58465 0.87932 1.00000
Cd7 Cd 0.75003 0.29467 0.41535 1.00000
