Pr7DyPb4
Alexandria ALEXAlex-ID: agm003669332 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
Pr3Dy2Pb3 Pr Pr5Pb3
2022-04-20 13:23:04.217519
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669332).
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 agm003669332
data_agm003669332
_cell_length_a 6.02691
_cell_length_b 9.76524
_cell_length_c 7.90123
_cell_angle_alpha 78.49855
_cell_angle_beta 67.58015
_cell_angle_gamma 72.02573
_cell_volume 407.12334
_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 0.79173 0.89233 0.52421 1.00000
Pr2 Pr 0.20827 0.10767 0.47579 1.00000
Pr3 Pr 0.05353 0.63014 0.26279 1.00000
Pr4 Pr 0.94647 0.36986 0.73721 1.00000
Pr5 Pr 0.30524 0.61912 0.77040 1.00000
Pr6 Pr 0.50000 0.00000 0.00000 1.00000
Pr7 Pr 0.69476 0.38088 0.22960 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.56452 0.23971 0.63125 1.00000
Pb2 Pb 0.43548 0.76029 0.36875 1.00000
Pb3 Pb 0.70130 0.67142 0.92597 1.00000
Pb4 Pb 0.29870 0.32858 0.07403 1.00000
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