TlPtPb3
Alexandria ALEXAlex-ID: agm005754580 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5498_spg11
TlPtPb2 PtPb4 TlPb
2023-07-05 13:08:00.260533
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754580).
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 agm005754580
data_agm005754580
_cell_length_a 4.48777
_cell_length_b 8.78194
_cell_length_c 8.23765
_cell_angle_alpha 115.29444
_cell_angle_beta 89.99996
_cell_angle_gamma 89.99991
_cell_volume 293.52955
_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 0.75000 0.77563 0.66182 1.00000
Tl2 Tl 0.25000 0.22437 0.33818 1.00000
Pt1 Pt 0.75000 0.60802 0.09473 1.00000
Pt2 Pt 0.25000 0.39198 0.90527 1.00000
Pb1 Pb 0.25000 0.58868 0.30222 1.00000
Pb2 Pb 0.75000 0.41132 0.69778 1.00000
Pb3 Pb 0.25000 0.04942 0.66680 1.00000
Pb4 Pb 0.75000 0.24136 0.01952 1.00000
Pb5 Pb 0.75000 0.95058 0.33320 1.00000
Pb6 Pb 0.25000 0.75864 0.98048 1.00000
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