SrPrPb4
Alexandria ALEXAlex-ID: agm005917907 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_143_spg63
SrPb3 Pr3Pb4 SrPb
2023-07-31 09:42:03.847121
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005917907).
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 agm005917907
data_agm005917907
_cell_length_a 4.83834
_cell_length_b 6.90494
_cell_length_c 12.29128
_cell_angle_alpha 90.00000
_cell_angle_beta 101.35106
_cell_angle_gamma 90.00000
_cell_volume 402.60034
_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
Sr1 Sr 0.72424 0.25000 0.44847 1.00000
Sr2 Sr 0.27576 0.75000 0.55153 1.00000
Pr1 Pr 0.43150 0.25000 0.86299 1.00000
Pr2 Pr 0.56850 0.75000 0.13701 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.00000 0.50000 0.00000 1.00000
Pb3 Pb 0.14767 0.98714 0.29535 1.00000
Pb4 Pb 0.85233 0.48714 0.70465 1.00000
Pb5 Pb 0.14767 0.51286 0.29535 1.00000
Pb6 Pb 0.85233 0.01286 0.70465 1.00000
Pb7 Pb 0.57897 0.25000 0.15794 1.00000
Pb8 Pb 0.42103 0.75000 0.84206 1.00000
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