Rb3Tl2Cd
Alexandria ALEXAlex-ID: agm005674727 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2925_spg14
Rb8Tl11 Rb2Cd3 Rb
2023-08-24 16:52:01.919721
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674727).
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 agm005674727
data_agm005674727
_cell_length_a 8.97688
_cell_length_b 11.77633
_cell_length_c 11.41245
_cell_angle_alpha 90.00001
_cell_angle_beta 99.96387
_cell_angle_gamma 90.00000
_cell_volume 1188.26609
_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 0.15751 0.88951 0.07177 1.00000
Rb2 Rb 0.34249 0.38951 0.42823 1.00000
Rb3 Rb 0.84249 0.11049 0.92823 1.00000
Rb4 Rb 0.65751 0.61049 0.57177 1.00000
Rb5 Rb 0.31084 0.55762 0.09109 1.00000
Rb6 Rb 0.18916 0.05762 0.40891 1.00000
Rb7 Rb 0.68916 0.44238 0.90891 1.00000
Rb8 Rb 0.81084 0.94238 0.59109 1.00000
Rb9 Rb 0.85350 0.66050 0.23336 1.00000
Rb10 Rb 0.64650 0.16050 0.26664 1.00000
Rb11 Rb 0.14650 0.33950 0.76664 1.00000
Rb12 Rb 0.35350 0.83950 0.73336 1.00000
Tl1 Tl 0.59458 0.89033 0.06549 1.00000
Tl2 Tl 0.90542 0.39033 0.43451 1.00000
Tl3 Tl 0.40542 0.10967 0.93451 1.00000
Tl4 Tl 0.09458 0.60967 0.56549 1.00000
Tl5 Tl 0.25736 0.72521 0.38790 1.00000
Tl6 Tl 0.24264 0.22521 0.11210 1.00000
Tl7 Tl 0.74264 0.27479 0.61210 1.00000
Tl8 Tl 0.75736 0.77479 0.88790 1.00000
Cd1 Cd 0.51832 0.84113 0.31258 1.00000
Cd2 Cd 0.98168 0.34113 0.18742 1.00000
Cd3 Cd 0.48168 0.15887 0.68742 1.00000
Cd4 Cd 0.01832 0.65887 0.81258 1.00000
