Pm(ZnPd)3
Alexandria ALEXAlex-ID: agm005962799 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_981_spg12
Pm2Zn3Pd4 PmZn3Pd2 ZnPd
2023-08-07 03:34:59.423011
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962799).
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 agm005962799
data_agm005962799
_cell_length_a 8.65192
_cell_length_b 7.52945
_cell_length_c 7.28421
_cell_angle_alpha 58.87565
_cell_angle_beta 40.22079
_cell_angle_gamma 64.20166
_cell_volume 261.60156
_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 0.04941 0.35038 0.24983 1.00000
Pm2 Pm 0.95059 0.64962 0.75017 1.00000
Zn1 Zn 0.49527 0.67109 0.83814 1.00000
Zn2 Zn 0.05438 0.89360 0.15841 1.00000
Zn3 Zn 0.49527 0.99550 0.83814 1.00000
Zn4 Zn 0.94562 0.10640 0.84159 1.00000
Zn5 Zn 0.50473 0.32891 0.16186 1.00000
Zn6 Zn 0.50473 0.00450 0.16186 1.00000
Pd1 Pd 0.46224 0.63579 0.26619 1.00000
Pd2 Pd 0.24513 0.77985 0.72258 1.00000
Pd3 Pd 0.24513 0.25243 0.72259 1.00000
Pd4 Pd 0.53776 0.36421 0.73381 1.00000
Pd5 Pd 0.75487 0.22015 0.27742 1.00000
Pd6 Pd 0.75487 0.74757 0.27741 1.00000
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