Ac6Pd(RuCl)2
Alexandria ALEXAlex-ID: agm032189373 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_291_spg12
Ac3Ru Ac6PdRu2Cl3 Ac2Ru AcPd
2024-11-07 03:34:32.920362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032189373).
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 agm032189373
data_agm032189373
_cell_length_a 7.52750
_cell_length_b 7.52750
_cell_length_c 8.17187
_cell_angle_alpha 80.93298
_cell_angle_beta 80.93298
_cell_angle_gamma 119.59993
_cell_volume 382.34696
_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 0.72200 0.72200 0.29427 1.00000
Ac2 Ac 0.41897 0.07141 0.29015 1.00000
Ac3 Ac 0.27800 0.27800 0.70573 1.00000
Ac4 Ac 0.07141 0.41897 0.29015 1.00000
Ac5 Ac 0.58103 0.92859 0.70985 1.00000
Ac6 Ac 0.92859 0.58103 0.70985 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.67164 0.32836 0.50000 1.00000
Ru2 Ru 0.32836 0.67164 0.50000 1.00000
Cl1 Cl 0.16809 0.83191 0.00000 1.00000
Cl2 Cl 0.83191 0.16809 0.00000 1.00000
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