NaTlPb14
Alexandria ALEXAlex-ID: agm005774965 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_14_spg123
TlPb5 NaPb3 Pb
2023-07-19 00:19:46.981175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774965).
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 agm005774965
data_agm005774965
_cell_length_a 8.38745
_cell_length_b 8.38745
_cell_length_c 7.12140
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99952
_cell_volume 500.98584
_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
Na1 Na 0.37500 0.37500 0.50000 1.00000
Tl1 Tl 0.87499 0.87499 0.50000 1.00000
Pb1 Pb 0.87500 0.87500 0.00000 1.00000
Pb2 Pb 0.37499 0.37499 0.00000 1.00000
Pb3 Pb 0.87501 0.37501 0.50000 1.00000
Pb4 Pb 0.87500 0.37500 0.00000 1.00000
Pb5 Pb 0.37501 0.87501 0.50000 1.00000
Pb6 Pb 0.37500 0.87500 0.00000 1.00000
Pb7 Pb 0.62443 0.12558 0.24406 1.00000
Pb8 Pb 0.62443 0.12558 0.75594 1.00000
Pb9 Pb 0.12558 0.62443 0.24406 1.00000
Pb10 Pb 0.12558 0.62443 0.75594 1.00000
Pb11 Pb 0.62440 0.62440 0.24410 1.00000
Pb12 Pb 0.62440 0.62440 0.75590 1.00000
Pb13 Pb 0.12560 0.12560 0.24412 1.00000
Pb14 Pb 0.12560 0.12560 0.75588 1.00000
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