In(PPd4)2
Alexandria ALEXAlex-ID: agm003536136 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_133_spg12
InPPd5 PPd3
2022-03-17 05:26:33.960856
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003536136).
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 agm003536136
data_agm003536136
_cell_length_a 4.42150
_cell_length_b 6.57570
_cell_length_c 6.57570
_cell_angle_alpha 111.33709
_cell_angle_beta 98.04291
_cell_angle_gamma 98.04291
_cell_volume 172.51329
_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
In1 In 0.50000 0.00000 0.00000 1.00000
P1 P 0.00000 0.32228 0.67772 1.00000
P2 P 0.00000 0.67772 0.32228 1.00000
Pd1 Pd 0.91046 0.93618 0.67363 1.00000
Pd2 Pd 0.91046 0.67363 0.93618 1.00000
Pd3 Pd 0.30675 0.61581 0.61581 1.00000
Pd4 Pd 0.50000 0.74913 0.25087 1.00000
Pd5 Pd 0.50000 0.25087 0.74913 1.00000
Pd6 Pd 0.69325 0.38419 0.38419 1.00000
Pd7 Pd 0.08954 0.32637 0.06382 1.00000
Pd8 Pd 0.08954 0.06382 0.32637 1.00000
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