PmMg4Pb7
Alexandria ALEXAlex-ID: agm003668751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
Pm2MgPb5 MgPb Pb
2022-04-20 10:52:48.545182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668751).
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 agm003668751
data_agm003668751
_cell_length_a 5.98266
_cell_length_b 9.37952
_cell_length_c 7.43678
_cell_angle_alpha 77.25441
_cell_angle_beta 66.28204
_cell_angle_gamma 71.40228
_cell_volume 360.05672
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.55788 0.23314 0.65111 1.00000
Mg2 Mg 0.44212 0.76686 0.34889 1.00000
Mg3 Mg 0.70654 0.67899 0.90794 1.00000
Mg4 Mg 0.29346 0.32101 0.09206 1.00000
Pb1 Pb 0.78968 0.89239 0.52826 1.00000
Pb2 Pb 0.21032 0.10761 0.47174 1.00000
Pb3 Pb 0.07819 0.63341 0.21022 1.00000
Pb4 Pb 0.92181 0.36659 0.78978 1.00000
Pb5 Pb 0.33734 0.58766 0.73767 1.00000
Pb6 Pb 0.50000 0.00000 0.00000 1.00000
Pb7 Pb 0.66266 0.41234 0.26233 1.00000
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