AcSi(H4Pd)2
Alexandria ALEXAlex-ID: agm007474989 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2274_spg8
AcH3 SiH20 AcH4Pd SiPd2
2024-10-14 17:42:08.015744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007474989).
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 agm007474989
data_agm007474989
_cell_length_a 5.07328
_cell_length_b 5.07328
_cell_length_c 5.14994
_cell_angle_alpha 76.22555
_cell_angle_beta 76.22555
_cell_angle_gamma 101.51892
_cell_volume 120.32863
_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 0.50130 0.50130 0.05239 1.00000
Si1 Si 0.06230 0.06230 0.91985 1.00000
H1 H 0.66364 0.46772 0.52772 1.00000
H2 H 0.68558 0.10352 0.89739 1.00000
H3 H 0.46772 0.66364 0.52772 1.00000
H4 H 0.30695 0.94647 0.18783 1.00000
H5 H 0.83641 0.83641 0.16396 1.00000
H6 H 0.88496 0.88496 0.54084 1.00000
H7 H 0.10352 0.68558 0.89739 1.00000
H8 H 0.94647 0.30695 0.18783 1.00000
Pd1 Pd 0.21057 0.83187 0.54837 1.00000
Pd2 Pd 0.83187 0.21057 0.54837 1.00000
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