HPdI
Alexandria ALEXAlex-ID: agm003604292 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7707_spg43
HPd H9I PdI2
2022-03-07 05:18:07.249457
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003604292).
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 agm003604292
data_agm003604292
_cell_length_a 6.25892
_cell_length_b 6.25892
_cell_length_c 8.07791
_cell_angle_alpha 112.35230
_cell_angle_beta 112.35230
_cell_angle_gamma 91.05147
_cell_volume 265.71941
_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
H1 H 0.49630 0.83681 0.41460 1.00000
H2 H 0.08681 0.24630 0.91460 1.00000
H3 H 0.33170 0.17221 0.08540 1.00000
H4 H 0.42221 0.08170 0.58540 1.00000
Pd1 Pd 0.19495 0.40036 0.16486 1.00000
Pd2 Pd 0.65036 0.94495 0.66486 1.00000
Pd3 Pd 0.23551 0.03009 0.83514 1.00000
Pd4 Pd 0.28009 0.98551 0.33514 1.00000
I1 I 0.72148 0.19846 0.04661 1.00000
I2 I 0.92488 0.90185 0.45339 1.00000
I3 I 0.44846 0.47148 0.54661 1.00000
I4 I 0.15185 0.67488 0.95339 1.00000
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