Sr3Si4Pd7
Alexandria ALEXAlex-ID: agm005696709 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_35_spg12
Sr4Si9Pd13 SrSiPd2
2023-06-29 17:42:07.332099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696709).
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 agm005696709
data_agm005696709
_cell_length_a 4.12370
_cell_length_b 8.35124
_cell_length_c 8.48069
_cell_angle_alpha 71.61828
_cell_angle_beta 75.92907
_cell_angle_gamma 75.70635
_cell_volume 264.20376
_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 0.32800 0.17575 0.16824 1.00000
Sr2 Sr 0.67200 0.82425 0.83176 1.00000
Sr3 Sr 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.66380 0.45625 0.21615 1.00000
Si2 Si 0.33620 0.54375 0.78385 1.00000
Si3 Si 0.88811 0.89163 0.33215 1.00000
Si4 Si 0.11189 0.10837 0.66785 1.00000
Pd1 Pd 0.30426 0.85766 0.53382 1.00000
Pd2 Pd 0.49550 0.23948 0.76952 1.00000
Pd3 Pd 0.82899 0.42149 0.92054 1.00000
Pd4 Pd 0.69574 0.14234 0.46618 1.00000
Pd5 Pd 0.17101 0.57851 0.07946 1.00000
Pd6 Pd 0.00000 0.00000 0.00000 1.00000
Pd7 Pd 0.50450 0.76052 0.23048 1.00000
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