Pr2YPb3
Alexandria ALEXAlex-ID: agm005709751 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
Pr2Y3Pb4 Pr3Pb4 Pr4Pb3
2023-08-25 10:23:01.189915
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709751).
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 agm005709751
data_agm005709751
_cell_length_a 5.05284
_cell_length_b 8.12428
_cell_length_c 9.19444
_cell_angle_alpha 89.99922
_cell_angle_beta 89.99749
_cell_angle_gamma 71.88221
_cell_volume 358.72426
_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 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.33334 0.33332 0.50000 1.00000
Pr4 Pr 0.66666 0.66668 0.50000 1.00000
Y1 Y 0.33194 0.33613 1.00000 1.00000
Y2 Y 0.66806 0.66387 0.00000 1.00000
Pb1 Pb 0.83152 0.33687 0.75566 1.00000
Pb2 Pb 0.50003 1.00000 0.24502 1.00000
Pb3 Pb 0.16848 0.66313 0.24434 1.00000
Pb4 Pb 0.83162 0.33687 0.24434 1.00000
Pb5 Pb 0.16838 0.66313 0.75566 1.00000
Pb6 Pb 0.49997 0.00000 0.75498 1.00000
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