Sr2SiPd2
Alexandria ALEXAlex-ID: agm002242554 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_18_spg15
Sr3Si2Pd3 SrPd
2018-07-14 02:04:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002242554).
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
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# CIF generated by HEAS from Alexandria entry agm002242554
data_agm002242554
_cell_length_a 5.86930
_cell_length_b 5.86928
_cell_length_c 8.06245
_cell_angle_alpha 80.23548
_cell_angle_beta 80.23550
_cell_angle_gamma 61.55145
_cell_volume 239.39624
_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
Sr1 Sr 0.72419 0.96889 0.15288 1.00000
Sr2 Sr 0.03111 0.27581 0.34712 1.00000
Sr3 Sr 0.27581 0.03111 0.84712 1.00000
Sr4 Sr 0.96889 0.72419 0.65288 1.00000
Si1 Si 0.59668 0.40332 0.75000 1.00000
Si2 Si 0.40332 0.59668 0.25000 1.00000
Pd1 Pd 0.74594 0.49191 0.99493 1.00000
Pd2 Pd 0.50810 0.25406 0.50507 1.00000
Pd3 Pd 0.25406 0.50809 0.00507 1.00000
Pd4 Pd 0.49190 0.74594 0.49493 1.00000
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