Tl2Cd4Pb5
Alexandria ALEXAlex-ID: agm005663822 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_236_spg12
Tl2Pb7 Cd TlPb
2023-06-21 11:58:50.402567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663822).
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 agm005663822
data_agm005663822
_cell_length_a 3.30790
_cell_length_b 8.62376
_cell_length_c 11.74988
_cell_angle_alpha 89.46921
_cell_angle_beta 98.09193
_cell_angle_gamma 89.99998
_cell_volume 331.83141
_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
Tl1 Tl 0.26804 0.33319 0.53608 1.00000
Tl2 Tl 0.73196 0.66681 0.46392 1.00000
Cd1 Cd 0.39418 0.23546 0.78835 1.00000
Cd2 Cd 0.99834 0.32909 0.99668 1.00000
Cd3 Cd 0.60582 0.76454 0.21165 1.00000
Cd4 Cd 0.00166 0.67091 0.00332 1.00000
Pb1 Pb 0.82047 0.97350 0.64094 1.00000
Pb2 Pb 0.17953 0.02650 0.35906 1.00000
Pb3 Pb 0.87578 0.57569 0.75155 1.00000
Pb4 Pb 0.50000 0.00000 0.00000 1.00000
Pb5 Pb 0.12422 0.42431 0.24845 1.00000
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