Ac(SiPd3)3
Alexandria ALEXAlex-ID: agm006014765 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_320_spg12
Ac3(Si3Pd10)2 Ac2(Si2Pd7)3 SiPd2
2023-08-10 08:18:48.105204
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014765).
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 agm006014765
data_agm006014765
_cell_length_a 5.25435
_cell_length_b 6.38031
_cell_length_c 7.18040
_cell_angle_alpha 83.64930
_cell_angle_beta 68.53815
_cell_angle_gamma 72.40294
_cell_volume 213.54474
_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 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Si2 Si 0.00000 0.00000 0.50000 1.00000
Si3 Si 0.50000 0.00000 0.50000 1.00000
Pd1 Pd 0.69034 0.76840 0.77548 1.00000
Pd2 Pd 0.30966 0.23160 0.22452 1.00000
Pd3 Pd 0.53418 0.23160 0.77548 1.00000
Pd4 Pd 0.46582 0.76840 0.22452 1.00000
Pd5 Pd 0.70141 0.31769 0.36945 1.00000
Pd6 Pd 0.29859 0.68231 0.63055 1.00000
Pd7 Pd 0.92914 0.68231 0.36945 1.00000
Pd8 Pd 0.07086 0.31769 0.63055 1.00000
Pd9 Pd 0.00000 0.50000 0.00000 1.00000
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