Ac3Pd2Cl
Alexandria ALEXAlex-ID: agm005754803 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1005_spg63
Ac7Pd3 AcPd AcCl3
2023-08-17 07:30:45.587899
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754803).
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 agm005754803
data_agm005754803
_cell_length_a 4.66240
_cell_length_b 7.95159
_cell_length_c 10.81742
_cell_angle_alpha 89.99998
_cell_angle_beta 89.99997
_cell_angle_gamma 107.04806
_cell_volume 383.41807
_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 0.62396 0.24792 0.05232 1.00000
Ac2 Ac 0.12660 0.25321 0.75000 1.00000
Ac3 Ac 0.62396 0.24792 0.44768 1.00000
Ac4 Ac 0.87340 0.74679 0.25000 1.00000
Ac5 Ac 0.37604 0.75208 0.94768 1.00000
Ac6 Ac 0.37604 0.75208 0.55232 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.00000 0.50000 1.00000
Pd3 Pd 0.48222 0.96443 0.25000 1.00000
Pd4 Pd 0.51778 0.03557 0.75000 1.00000
Cl1 Cl 0.21531 0.43061 0.25000 1.00000
Cl2 Cl 0.78469 0.56939 0.75000 1.00000
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