HgPdI
Alexandria ALEXAlex-ID: agm005702640 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10950_spg47
HgPd2 HgI2
2023-06-19 12:06:41.980024
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702640).
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 agm005702640
data_agm005702640
_cell_length_a 4.31133
_cell_length_b 6.47874
_cell_length_c 6.48876
_cell_angle_alpha 66.27193
_cell_angle_beta 90.01935
_cell_angle_gamma 90.00571
_cell_volume 165.92283
_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
Hg1 Hg 0.89586 0.67105 0.65403 1.00000
Hg2 Hg 0.89586 0.17108 0.15405 1.00000
Pd1 Pd 0.39595 0.42117 0.90388 1.00000
Pd2 Pd 0.39578 0.92091 0.40413 1.00000
I1 I 0.39539 0.67102 0.15406 1.00000
I2 I 0.39597 0.17101 0.65407 1.00000
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