Ac3(PPd)4
Alexandria ALEXAlex-ID: agm003379334 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
Ac(PPd)2 AcPPd
2022-02-09 05:40:56.480709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003379334).
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 agm003379334
data_agm003379334
_cell_length_a 4.33872
_cell_length_b 4.28861
_cell_length_c 12.78676
_cell_angle_alpha 80.36892
_cell_angle_beta 80.24074
_cell_angle_gamma 90.03578
_cell_volume 231.07326
_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
Ac1 Ac 0.14995 0.65033 0.69972 1.00000
Ac2 Ac 0.85007 0.34969 0.30028 1.00000
Ac3 Ac 0.00002 0.00002 1.00000 1.00000
P1 P 0.54711 0.54713 0.90506 1.00000
P2 P 0.45292 0.45290 0.09494 1.00000
P3 P 0.30452 0.80543 0.38866 1.00000
P4 P 0.69551 0.19460 0.61134 1.00000
Pd1 Pd 0.59510 0.09483 0.80899 1.00000
Pd2 Pd 0.25281 0.24989 0.49981 1.00000
Pd3 Pd 0.74723 0.75014 0.50020 1.00000
Pd4 Pd 0.40492 0.90520 0.19101 1.00000
Get direct link