Te2Pd3I2
Alexandria ALEXAlex-ID: agm070985117 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_3397_spg212
PdI2 TePdI Te2Pd3
2024-08-07 05:37:10.747337
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070985117).
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 agm070985117
data_agm070985117
_cell_length_a 9.22071
_cell_length_b 9.22071
_cell_length_c 9.22071
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 783.95879
_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
Te1 Te 0.48050 0.48050 0.48050 1.00000
Te2 Te 0.01950 0.51950 0.98050 1.00000
Te3 Te 0.51950 0.98050 0.01950 1.00000
Te4 Te 0.98050 0.01950 0.51950 1.00000
Te5 Te 0.73050 0.23050 0.26950 1.00000
Te6 Te 0.76950 0.76950 0.76950 1.00000
Te7 Te 0.23050 0.26950 0.73050 1.00000
Te8 Te 0.26950 0.73050 0.23050 1.00000
Pd1 Pd 0.12500 0.25582 0.99418 1.00000
Pd2 Pd 0.37500 0.74418 0.49418 1.00000
Pd3 Pd 0.87500 0.75582 0.50582 1.00000
Pd4 Pd 0.62500 0.24418 0.00582 1.00000
Pd5 Pd 0.99418 0.12500 0.25582 1.00000
Pd6 Pd 0.49418 0.37500 0.74418 1.00000
Pd7 Pd 0.50582 0.87500 0.75582 1.00000
Pd8 Pd 0.00582 0.62500 0.24418 1.00000
Pd9 Pd 0.25582 0.99418 0.12500 1.00000
Pd10 Pd 0.74418 0.49418 0.37500 1.00000
Pd11 Pd 0.75582 0.50582 0.87500 1.00000
Pd12 Pd 0.24418 0.00582 0.62500 1.00000
I1 I 0.98961 0.98961 0.98961 1.00000
I2 I 0.51039 0.01039 0.48961 1.00000
I3 I 0.01039 0.48961 0.51039 1.00000
I4 I 0.48961 0.51039 0.01039 1.00000
I5 I 0.23961 0.73961 0.76039 1.00000
I6 I 0.26039 0.26039 0.26039 1.00000
I7 I 0.73961 0.76039 0.23961 1.00000
I8 I 0.76039 0.23961 0.73961 1.00000
