Rb(Tl2Pd)2
Alexandria ALEXAlex-ID: agm005957776 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_984_spg71
Rb5Tl9 RbTl4Pd TlPd
2023-10-14 16:46:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005957776).
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 agm005957776
data_agm005957776
_cell_length_a 6.96546
_cell_length_b 6.96545
_cell_length_c 5.57932
_cell_angle_alpha 66.37604
_cell_angle_beta 66.37603
_cell_angle_gamma 103.33354
_cell_volume 201.03989
_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
Tl1 Tl 0.57661 0.92619 0.74824 1.00000
Tl2 Tl 0.42339 0.07381 0.25176 1.00000
Tl3 Tl 0.07381 0.42339 0.25176 1.00000
Tl4 Tl 0.92619 0.57661 0.74824 1.00000
Pd1 Pd 0.49921 0.49921 0.74438 1.00000
Pd2 Pd 0.50079 0.50079 0.25562 1.00000
Get direct link