Cs3Tl2Pb9
Alexandria ALEXAlex-ID: agm005606352 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_15_spg71
Tl2Pb7 TlPb Cs4Pb9
2023-06-18 16:58:31.672176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606352).
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 agm005606352
data_agm005606352
_cell_length_a 10.38043
_cell_length_b 10.38043
_cell_length_c 10.38043
_cell_angle_alpha 149.87414
_cell_angle_beta 106.34273
_cell_angle_gamma 81.58701
_cell_volume 527.65209
_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 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.29541 0.29541 0.00000 1.00000
Cs3 Cs 0.70459 0.70459 0.00000 1.00000
Tl1 Tl 0.32326 0.50000 0.82326 1.00000
Tl2 Tl 0.67674 0.50000 0.17674 1.00000
Pb1 Pb 0.50000 0.00000 0.50000 1.00000
Pb2 Pb 0.99057 0.34995 0.64062 1.00000
Pb3 Pb 0.00943 0.65005 0.35938 1.00000
Pb4 Pb 0.70933 0.34995 0.35938 1.00000
Pb5 Pb 0.29067 0.65005 0.64062 1.00000
Pb6 Pb 0.86361 0.14963 0.71398 1.00000
Pb7 Pb 0.13639 0.85037 0.28602 1.00000
Pb8 Pb 0.43565 0.14963 0.28602 1.00000
Pb9 Pb 0.56435 0.85037 0.71398 1.00000
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