Pm2Zn5PdRu2
Alexandria ALEXAlex-ID: agm005134682 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_48_spg127
PmZn3Pd2 Zn3Ru Pm2Zn4Ru Ru
2022-07-15 06:52:44.601453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005134682).
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 agm005134682
data_agm005134682
_cell_length_a 3.44132
_cell_length_b 10.21949
_cell_length_c 10.21949
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 359.40450
_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 0.68002 0.18002 1.00000
Pm2 Pm 0.00000 0.31998 0.81998 1.00000
Pm3 Pm 0.00000 0.18002 0.31998 1.00000
Pm4 Pm 0.00000 0.81998 0.68002 1.00000
Zn1 Zn 0.50000 0.19060 0.05294 1.00000
Zn2 Zn 0.50000 0.80940 0.94706 1.00000
Zn3 Zn 0.50000 0.05294 0.80940 1.00000
Zn4 Zn 0.50000 0.69060 0.44706 1.00000
Zn5 Zn 0.50000 0.94706 0.19060 1.00000
Zn6 Zn 0.50000 0.30940 0.55294 1.00000
Zn7 Zn 0.50000 0.55294 0.69060 1.00000
Zn8 Zn 0.50000 0.44706 0.30940 1.00000
Zn9 Zn 0.50000 0.50000 0.00000 1.00000
Zn10 Zn 0.50000 0.00000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.00000 0.13161 0.63161 1.00000
Ru2 Ru 0.00000 0.86839 0.36839 1.00000
Ru3 Ru 0.00000 0.63161 0.86839 1.00000
Ru4 Ru 0.00000 0.36839 0.13161 1.00000
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