CdHgPd4
Alexandria ALEXAlex-ID: agm070067239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_318_spg97
CdPd2 HgPd2
2025-04-16 03:18:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070067239).
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 agm070067239
data_agm070067239
_cell_length_a 4.97725
_cell_length_b 4.97725
_cell_length_c 5.92998
_cell_angle_alpha 72.86656
_cell_angle_beta 107.13344
_cell_angle_gamma 133.22820
_cell_volume 101.37523
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.66753 0.33247 0.83477 1.00000
Pd2 Pd 0.66746 0.33254 0.33210 1.00000
Pd3 Pd 0.33247 0.66753 0.16523 1.00000
Pd4 Pd 0.33254 0.66746 0.66790 1.00000
Get direct link