Sm6Tl5Pb
Alexandria ALEXAlex-ID: agm006111572 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
Sm4Pb3 Sm3Tl5 SmTl
2023-09-08 06:14:02.350678
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111572).
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 agm006111572
data_agm006111572
_cell_length_a 5.47839
_cell_length_b 9.48918
_cell_length_c 9.48918
_cell_angle_alpha 120.17203
_cell_angle_beta 106.82806
_cell_angle_gamma 106.82809
_cell_volume 347.25169
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.17016 0.82984 1.00000
Tl2 Tl 0.00000 0.33405 0.66595 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Tl4 Tl 1.00000 0.66595 0.33405 1.00000
Tl5 Tl 0.50000 0.82984 0.17016 1.00000
Sm1 Sm 0.24939 0.08298 0.41594 1.00000
Sm2 Sm 0.75061 0.58406 0.91702 1.00000
Sm3 Sm 0.74912 0.24922 0.24922 1.00000
Sm4 Sm 0.25088 0.75078 0.75078 1.00000
Sm5 Sm 0.24939 0.41594 0.08298 1.00000
Sm6 Sm 0.75061 0.91702 0.58406 1.00000
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