Pm2Hg2Pd5
Alexandria ALEXAlex-ID: agm003314799 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_441_spg74
PmHgPd PmPd3 Hg
2022-01-22 18:17:47.177995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003314799).
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 agm003314799
data_agm003314799
_cell_length_a 5.15069
_cell_length_b 9.03379
_cell_length_c 9.75754
_cell_angle_alpha 117.57526
_cell_angle_beta 105.30360
_cell_angle_gamma 90.00000
_cell_volume 384.19083
_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 0.94320 0.73652 0.25385 1.00000
Pm2 Pm 0.05680 0.48267 0.74615 1.00000
Pm3 Pm 0.81065 0.23652 0.25385 1.00000
Pm4 Pm 0.18935 0.98267 0.74615 1.00000
Hg1 Hg 0.00000 0.90221 1.00000 1.00000
Hg2 Hg 0.50000 0.40221 1.00000 1.00000
Hg3 Hg 0.43340 0.42011 0.50000 1.00000
Hg4 Hg 0.56660 0.92011 0.50000 1.00000
Pd1 Pd 0.36049 0.73108 0.11428 1.00000
Pd2 Pd 0.63952 0.61679 0.88572 1.00000
Pd3 Pd 0.25380 0.23108 0.11428 1.00000
Pd4 Pd 0.74620 0.11679 0.88572 1.00000
Pd5 Pd 0.36221 0.07219 0.31520 1.00000
Pd6 Pd 0.63779 0.75699 0.68480 1.00000
Pd7 Pd 0.45299 0.57219 0.31520 1.00000
Pd8 Pd 0.54701 0.25699 0.68480 1.00000
Pd9 Pd 0.01206 0.61742 0.50000 1.00000
Pd10 Pd 0.98794 0.11742 0.50000 1.00000
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