Na3(TlPb)4
Alexandria ALEXAlex-ID: agm005703549 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
NaTl2 NaTlPb2
2023-06-29 21:33:12.933371
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703549).
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 agm005703549
data_agm005703549
_cell_length_a 3.48173
_cell_length_b 5.05558
_cell_length_c 18.80656
_cell_angle_alpha 98.01891
_cell_angle_beta 93.61915
_cell_angle_gamma 89.59089
_cell_volume 327.14536
_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 0.64144 0.63665 0.27134 1.00000
Na2 Na 0.35852 0.36337 0.72866 1.00000
Na3 Na 0.00002 0.00001 1.00000 1.00000
Tl1 Tl 0.09408 0.09191 0.18036 1.00000
Tl2 Tl 0.27238 0.27354 0.54774 1.00000
Tl3 Tl 0.72754 0.72650 0.45227 1.00000
Tl4 Tl 0.90590 0.90812 0.81964 1.00000
Pb1 Pb 0.53794 0.54489 0.09036 1.00000
Pb2 Pb 0.46207 0.45513 0.90962 1.00000
Pb3 Pb 0.81751 0.81809 0.63614 1.00000
Pb4 Pb 0.18244 0.18194 0.36387 1.00000
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