Sr3Ag2Pd3
Alexandria ALEXAlex-ID: agm005579062 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_69_spg63
Sr2AgPd2 SrAg2 SrPd2
2023-06-06 09:02:48.017141
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005579062).
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 agm005579062
data_agm005579062
_cell_length_a 4.41257
_cell_length_b 5.77269
_cell_length_c 16.66474
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 112.46960
_cell_volume 392.26432
_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 0.64031 0.28063 0.04649 1.00000
Sr2 Sr 0.35969 0.71937 0.54649 1.00000
Sr3 Sr 0.64031 0.28063 0.45351 1.00000
Sr4 Sr 0.35969 0.71937 0.95351 1.00000
Sr5 Sr 0.55557 0.11114 0.25000 1.00000
Sr6 Sr 0.44443 0.88886 0.75000 1.00000
Ag1 Ag 0.70505 0.41010 0.65360 1.00000
Ag2 Ag 0.29495 0.58990 0.15360 1.00000
Ag3 Ag 0.70505 0.41010 0.84640 1.00000
Ag4 Ag 0.29495 0.58990 0.34640 1.00000
Pd1 Pd 0.93628 0.87256 0.08789 1.00000
Pd2 Pd 0.06372 0.12744 0.58789 1.00000
Pd3 Pd 0.93628 0.87256 0.41211 1.00000
Pd4 Pd 0.06372 0.12744 0.91211 1.00000
Pd5 Pd 0.84516 0.69033 0.25000 1.00000
Pd6 Pd 0.15484 0.30967 0.75000 1.00000
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