Pr6TlPb5
Alexandria ALEXAlex-ID: agm006111578 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_51_spg65
Pr4Pb3 Pr3Tl5 Pr3Pb4
2023-09-18 04:18:41.954262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111578).
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
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# CIF generated by HEAS from Alexandria entry agm006111578
data_agm006111578
_cell_length_a 5.16351
_cell_length_b 9.17834
_cell_length_c 8.17564
_cell_angle_alpha 89.99773
_cell_angle_beta 71.96999
_cell_angle_gamma 89.99163
_cell_volume 368.43743
_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
Pr1 Pr 0.83338 0.75248 0.33321 1.00000
Pr2 Pr 0.83338 0.24752 0.33321 1.00000
Pr3 Pr 0.50000 0.24910 0.00000 1.00000
Pr4 Pr 0.50000 0.75090 1.00000 1.00000
Pr5 Pr 0.16662 0.75248 0.66679 1.00000
Pr6 Pr 0.16662 0.24752 0.66679 1.00000
Pb1 Pb 0.66734 0.50000 0.66525 1.00000
Pb2 Pb 0.33570 0.00000 0.32838 1.00000
Pb3 Pb 0.00000 0.50000 0.00000 1.00000
Pb4 Pb 0.66430 1.00000 0.67162 1.00000
Pb5 Pb 0.33266 0.50000 0.33475 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
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