CsTlPb3
Alexandria ALEXAlex-ID: agm005808786 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5080_spg8
TlPb Cs4Pb9 Tl
2023-07-03 16:11:46.936031
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808786).
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 agm005808786
data_agm005808786
_cell_length_a 5.19099
_cell_length_b 5.18990
_cell_length_c 8.14705
_cell_angle_alpha 71.52392
_cell_angle_beta 71.51006
_cell_angle_gamma 90.08668
_cell_volume 196.15398
_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 0.40400 0.20780 0.89813 1.00000
Tl1 Tl 0.00415 0.80741 0.67274 1.00000
Pb1 Pb 0.64011 0.96700 0.40153 1.00000
Pb2 Pb 0.16348 0.44301 0.40141 1.00000
Pb3 Pb 0.79603 0.59996 0.13733 1.00000
