Pr4Mg5Pb6
Alexandria ALEXAlex-ID: agm005716111 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C6_3_spg36
PrMg3Pb2 PrMgPb2 PrMgPb
2023-06-30 05:51:22.940720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005716111).
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 agm005716111
data_agm005716111
_cell_length_a 4.82106
_cell_length_b 10.91604
_cell_length_c 17.09335
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.75748
_cell_volume 877.36265
_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 0.96683 0.93366 0.26566 1.00000
Pr2 Pr 0.03317 0.06634 0.76566 1.00000
Pr3 Pr 0.16361 0.32723 0.30106 1.00000
Pr4 Pr 0.83639 0.67277 0.80106 1.00000
Pr5 Pr 0.82525 0.65049 0.44262 1.00000
Pr6 Pr 0.17475 0.34951 0.94262 1.00000
Pr7 Pr 0.01972 0.03945 0.49930 1.00000
Pr8 Pr 0.98028 0.96055 0.99930 1.00000
Mg1 Mg 0.43801 0.87603 0.68213 1.00000
Mg2 Mg 0.56199 0.12397 0.18213 1.00000
Mg3 Mg 0.15410 0.30819 0.62682 1.00000
Mg4 Mg 0.84590 0.69181 0.12682 1.00000
Mg5 Mg 0.65155 0.30309 0.48507 1.00000
Mg6 Mg 0.34845 0.69691 0.98507 1.00000
Mg7 Mg 0.30351 0.60702 0.62022 1.00000
Mg8 Mg 0.69649 0.39298 0.12022 1.00000
Mg9 Mg 0.34275 0.68550 0.27238 1.00000
Mg10 Mg 0.65725 0.31450 0.77238 1.00000
Pb1 Pb 0.76599 0.53198 0.26803 1.00000
Pb2 Pb 0.42796 0.85592 0.41572 1.00000
Pb3 Pb 0.77398 0.54796 0.97769 1.00000
Pb4 Pb 0.22602 0.45204 0.47769 1.00000
Pb5 Pb 0.43808 0.87616 0.85377 1.00000
Pb6 Pb 0.56192 0.12384 0.35377 1.00000
Pb7 Pb 0.43166 0.86332 0.12943 1.00000
Pb8 Pb 0.56834 0.13668 0.62943 1.00000
Pb9 Pb 0.10967 0.21934 0.11560 1.00000
Pb10 Pb 0.89033 0.78066 0.61560 1.00000
Pb11 Pb 0.57204 0.14408 0.91572 1.00000
Pb12 Pb 0.23401 0.46802 0.76803 1.00000
