Ac5TlPb6
Alexandria ALEXAlex-ID: agm006111580 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Ac3Pb4 Ac3Tl5 AcTl3
2023-09-11 03:21:26.328766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111580).
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 agm006111580
data_agm006111580
_cell_length_a 5.27248
_cell_length_b 9.65072
_cell_length_c 9.88687
_cell_angle_alpha 119.21250
_cell_angle_beta 105.46366
_cell_angle_gamma 90.00159
_cell_volume 418.10051
_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 0.16852 0.42130 0.33706 1.00000
Pb2 Pb 0.16854 0.91576 0.33706 1.00000
Pb3 Pb 0.49999 0.26212 1.00000 1.00000
Pb4 Pb 0.50001 0.73788 0.00000 1.00000
Pb5 Pb 0.83146 0.08424 0.66294 1.00000
Pb6 Pb 0.83148 0.57870 0.66294 1.00000
Ac1 Ac 0.35652 0.85652 0.71305 1.00000
Ac2 Ac 0.67323 0.67323 0.34645 1.00000
Ac3 Ac 0.00000 0.50000 0.00000 1.00000
Ac4 Ac 0.32677 0.32677 0.65355 1.00000
Ac5 Ac 0.64348 0.14348 0.28695 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
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