Th10(SnPb)3
Alexandria ALEXAlex-ID: agm005669253 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C10_0_spg189
Th3Sn2 Th5Pb4 Th
2023-06-19 15:08:34.408650
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669253).
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 agm005669253
data_agm005669253
_cell_length_a 6.47763
_cell_length_b 9.49730
_cell_length_c 9.49730
_cell_angle_alpha 119.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 505.99613
_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
Th1 Th 0.25200 0.66667 0.33333 1.00000
Th2 Th 0.25200 0.33333 0.66667 1.00000
Th3 Th 0.74800 0.33333 0.66667 1.00000
Th4 Th 0.74800 0.66667 0.33333 1.00000
Th5 Th 0.50000 0.00000 0.74805 1.00000
Th6 Th 0.50000 0.74805 0.00000 1.00000
Th7 Th 0.50000 0.25195 0.25195 1.00000
Th8 Th 0.00000 1.00000 0.25200 1.00000
Th9 Th 0.00000 0.25200 1.00000 1.00000
Th10 Th 0.00000 0.74800 0.74800 1.00000
Sn1 Sn 0.50000 0.00000 0.38741 1.00000
Sn2 Sn 0.50000 0.38741 0.00000 1.00000
Sn3 Sn 0.50000 0.61259 0.61259 1.00000
Pb1 Pb 0.00000 1.00000 0.61132 1.00000
Pb2 Pb 0.00000 0.61132 1.00000 1.00000
Pb3 Pb 0.00000 0.38868 0.38868 1.00000
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