Tl4CdPb10
Alexandria ALEXAlex-ID: agm005999032 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
Tl2Pb7 Cd TlPb
2023-08-10 09:25:48.659004
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999032).
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 agm005999032
data_agm005999032
_cell_length_a 9.10271
_cell_length_b 9.10271
_cell_length_c 9.10271
_cell_angle_alpha 99.93540
_cell_angle_beta 99.93540
_cell_angle_gamma 130.91394
_cell_volume 518.48033
_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 0.59771 0.20261 0.80032 1.00000
Tl2 Tl 0.20261 0.40229 0.60490 1.00000
Tl3 Tl 0.79739 0.59771 0.39510 1.00000
Tl4 Tl 0.40229 0.79739 0.19968 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.75000 0.25000 0.50000 1.00000
Pb2 Pb 0.34206 0.43869 0.29687 1.00000
Pb3 Pb 0.95481 0.65794 0.09663 1.00000
Pb4 Pb 0.56131 0.85818 0.90337 1.00000
Pb5 Pb 0.14182 0.04519 0.70313 1.00000
Pb6 Pb 0.65794 0.56131 0.70313 1.00000
Pb7 Pb 0.25000 0.75000 0.50000 1.00000
Pb8 Pb 0.85818 0.95481 0.29687 1.00000
Pb9 Pb 0.43869 0.14182 0.09663 1.00000
Pb10 Pb 0.04519 0.34206 0.90337 1.00000
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