Pr3(MgPb2)2
Alexandria ALEXAlex-ID: agm005687778 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1060_spg2
PrMgPb2 PrMgPb Pr3Pb4
2023-06-27 10:17:36.787578
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687778).
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 agm005687778
data_agm005687778
_cell_length_a 4.82084
_cell_length_b 7.26674
_cell_length_c 8.70070
_cell_angle_alpha 110.10989
_cell_angle_beta 106.04119
_cell_angle_gamma 90.04381
_cell_volume 273.52098
_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 0.13070 0.61172 0.26181 1.00000
Pr2 Pr 0.86930 0.38828 0.73819 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.66924 0.99495 0.33748 1.00000
Mg2 Mg 0.33076 0.00505 0.66252 1.00000
Pb1 Pb 0.48664 0.69711 0.97341 1.00000
Pb2 Pb 0.21596 0.24890 0.43059 1.00000
Pb3 Pb 0.51336 0.30289 0.02659 1.00000
Pb4 Pb 0.78404 0.75110 0.56941 1.00000
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