FePdI4
Alexandria ALEXAlex-ID: agm005757922 · Space group: C222_1 (#20)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3019_spg20
PdI2 FeI2
2023-07-28 06:34:47.553534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757922).
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 agm005757922
data_agm005757922
_cell_length_a 7.02934
_cell_length_b 7.02933
_cell_length_c 10.64134
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 72.20146
_cell_volume 500.63859
_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
Fe1 Fe 0.67641 0.67641 0.00000 1.00000
Fe2 Fe 0.32359 0.32359 0.50000 1.00000
Pd1 Pd 0.82809 0.17191 0.75000 1.00000
Pd2 Pd 0.17191 0.82809 0.25000 1.00000
I1 I 0.25227 0.17578 0.29119 1.00000
I2 I 0.74773 0.82422 0.79119 1.00000
I3 I 0.17578 0.25227 0.70881 1.00000
I4 I 0.70712 0.19988 0.51175 1.00000
I5 I 0.82422 0.74773 0.20881 1.00000
I6 I 0.80012 0.29288 0.98825 1.00000
I7 I 0.19988 0.70712 0.48825 1.00000
I8 I 0.29288 0.80012 0.01175 1.00000
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