Pr8Nd2Pb
Alexandria ALEXAlex-ID: agm005992487 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1408_spg2
Pr3Nd2Pb3 Pr PrNd2
2023-09-29 15:50:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992487).
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 agm005992487
data_agm005992487
_cell_length_a 5.70404
_cell_length_b 7.82164
_cell_length_c 10.15279
_cell_angle_alpha 112.65533
_cell_angle_beta 106.31447
_cell_angle_gamma 90.00000
_cell_volume 398.17775
_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 0.63777 0.86313 0.27555 1.00000
Pr2 Pr 0.36224 0.58760 0.72447 1.00000
Pr3 Pr 0.17592 0.17592 0.35184 1.00000
Pr4 Pr 1.00000 0.26023 0.99999 1.00000
Pr5 Pr 0.82408 0.82408 0.64816 1.00000
Pr6 Pr 0.63776 0.41240 0.27553 1.00000
Pr7 Pr 0.36223 0.13687 0.72445 1.00000
Pr8 Pr 0.00000 0.73977 0.00001 1.00000
Nd1 Nd 0.19210 0.69209 0.38421 1.00000
Nd2 Nd 0.80790 0.30791 0.61579 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
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