Pm2PdPb2
Alexandria ALEXAlex-ID: agm003392425 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_33_spg12
Pm5Pb4 PmPdPb PmPb2
2022-02-19 17:45:06.130907
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003392425).
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
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# CIF generated by HEAS from Alexandria entry agm003392425
data_agm003392425
_cell_length_a 4.61341
_cell_length_b 6.19501
_cell_length_c 10.56773
_cell_angle_alpha 89.15880
_cell_angle_beta 77.39207
_cell_angle_gamma 68.13943
_cell_volume 272.80974
_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 0.67401 0.32195 0.33004 1.00000
Pm2 Pm 0.93966 0.24127 0.87940 1.00000
Pm3 Pm 0.32599 0.67805 0.66996 1.00000
Pm4 Pm 0.06034 0.75873 0.12060 1.00000
Pd1 Pd 0.61645 0.09206 0.67504 1.00000
Pd2 Pd 0.38355 0.90794 0.32496 1.00000
Pb1 Pb 0.09562 0.25059 0.55817 1.00000
Pb2 Pb 0.65557 0.80271 0.88616 1.00000
Pb3 Pb 0.90438 0.74941 0.44183 1.00000
Pb4 Pb 0.34443 0.19729 0.11384 1.00000
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