V(PdI3)2
Alexandria ALEXAlex-ID: agm005759509 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_644_spg14
VI3 VPd8 PdI2
2023-07-10 14:22:22.792675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759509).
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 agm005759509
data_agm005759509
_cell_length_a 6.99180
_cell_length_b 7.34721
_cell_length_c 11.64202
_cell_angle_alpha 90.00000
_cell_angle_beta 97.07460
_cell_angle_gamma 90.00000
_cell_volume 593.50062
_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
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.98418 0.62483 0.84386 1.00000
Pd2 Pd 0.51582 0.12483 0.65614 1.00000
Pd3 Pd 0.48418 0.87517 0.34386 1.00000
Pd4 Pd 0.01582 0.37517 0.15614 1.00000
I1 I 0.14758 0.07005 0.28320 1.00000
I2 I 0.17999 0.30518 0.59572 1.00000
I3 I 0.16930 0.31649 0.93468 1.00000
I4 I 0.33070 0.81649 0.56532 1.00000
I5 I 0.32001 0.80518 0.90428 1.00000
I6 I 0.35242 0.57005 0.21680 1.00000
I7 I 0.85242 0.92995 0.71680 1.00000
I8 I 0.82001 0.69482 0.40428 1.00000
I9 I 0.83070 0.68351 0.06532 1.00000
I10 I 0.66930 0.18351 0.43468 1.00000
I11 I 0.67999 0.19482 0.09572 1.00000
I12 I 0.64758 0.42995 0.78320 1.00000
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