Pm6TlPb5
Alexandria ALEXAlex-ID: agm006111610 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Pm2TlPb3 Pm5Pb4 PmTl3
2023-09-18 03:36:39.082322
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111610).
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 agm006111610
data_agm006111610
_cell_length_a 5.10594
_cell_length_b 9.06024
_cell_length_c 8.08689
_cell_angle_alpha 90.00414
_cell_angle_beta 71.92419
_cell_angle_gamma 90.01399
_cell_volume 355.64475
_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 0.66717 0.50000 0.66555 1.00000
Pb2 Pb 0.33554 0.00000 0.32855 1.00000
Pb3 Pb 0.00000 0.50000 0.00000 1.00000
Pb4 Pb 0.66446 1.00000 0.67145 1.00000
Pb5 Pb 0.33283 0.50000 0.33445 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.83341 0.75274 0.33312 1.00000
Pm2 Pm 0.83341 0.24726 0.33312 1.00000
Pm3 Pm 0.50000 0.24868 1.00000 1.00000
Pm4 Pm 0.50000 0.75132 0.00000 1.00000
Pm5 Pm 0.16659 0.75274 0.66688 1.00000
Pm6 Pm 0.16659 0.24726 0.66688 1.00000
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