TlGaPb
Alexandria ALEXAlex-ID: agm005602138 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1411_spg12
Ga TlPb
2023-06-17 10:52:52.863477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602138).
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
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# CIF generated by HEAS from Alexandria entry agm005602138
data_agm005602138
_cell_length_a 3.51324
_cell_length_b 3.51324
_cell_length_c 19.60062
_cell_angle_alpha 122.07316
_cell_angle_beta 122.07317
_cell_angle_gamma 60.10470
_cell_volume 165.63196
_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 0.48038 0.48038 0.40526 1.00000
Tl2 Tl 0.51962 0.51962 0.59474 1.00000
Ga1 Ga 0.79020 0.79020 0.06155 1.00000
Ga2 Ga 0.20980 0.20980 0.93845 1.00000
Pb1 Pb 0.43154 0.43154 0.21509 1.00000
Pb2 Pb 0.56846 0.56846 0.78491 1.00000
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