CsTl2Pd3
Alexandria ALEXAlex-ID: agm005698771 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6_spg12
CsTlPd Cs2TlPd2 Tl2Pd3
2023-08-24 04:15:03.589887
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698771).
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 agm005698771
data_agm005698771
_cell_length_a 4.19374
_cell_length_b 8.33139
_cell_length_c 10.74400
_cell_angle_alpha 109.72148
_cell_angle_beta 101.19446
_cell_angle_gamma 104.64044
_cell_volume 325.41081
_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
Cs1 Cs 0.87393 0.73492 0.01286 1.00000
Cs2 Cs 0.12607 0.26508 0.98714 1.00000
Tl1 Tl 0.68875 0.14403 0.23407 1.00000
Tl2 Tl 0.31125 0.85597 0.76593 1.00000
Tl3 Tl 0.47826 0.27832 0.67791 1.00000
Tl4 Tl 0.52174 0.72168 0.32209 1.00000
Pd1 Pd 0.05124 0.47708 0.62477 1.00000
Pd2 Pd 0.78873 0.09833 0.47927 1.00000
Pd3 Pd 0.63261 0.68556 0.57939 1.00000
Pd4 Pd 0.36739 0.31444 0.42061 1.00000
Pd5 Pd 0.21127 0.90167 0.52073 1.00000
Pd6 Pd 0.94876 0.52292 0.37523 1.00000
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