Sr3Sb2Pd
Alexandria ALEXAlex-ID: agm005751323 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
Sr3Sb2Pd
2023-08-25 02:46:52.800846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751323).
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 agm005751323
data_agm005751323
_cell_length_a 4.76816
_cell_length_b 12.68053
_cell_length_c 12.92029
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 781.19746
_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 0.25000 0.37609 0.05446 1.00000
Sr2 Sr 0.75000 0.62391 0.94554 1.00000
Sr3 Sr 0.75000 0.87609 0.44554 1.00000
Sr4 Sr 0.25000 0.12391 0.55446 1.00000
Sr5 Sr 0.25000 0.69715 0.22234 1.00000
Sr6 Sr 0.75000 0.30285 0.77766 1.00000
Sr7 Sr 0.75000 0.19715 0.27766 1.00000
Sr8 Sr 0.25000 0.80285 0.72234 1.00000
Sr9 Sr 0.25000 0.44879 0.38359 1.00000
Sr10 Sr 0.75000 0.55121 0.61641 1.00000
Sr11 Sr 0.75000 0.94879 0.11641 1.00000
Sr12 Sr 0.25000 0.05121 0.88359 1.00000
Sb1 Sb 0.25000 0.69077 0.48352 1.00000
Sb2 Sb 0.75000 0.30923 0.51648 1.00000
Sb3 Sb 0.75000 0.19077 0.01648 1.00000
Sb4 Sb 0.25000 0.80923 0.98352 1.00000
Sb5 Sb 0.25000 0.00573 0.30318 1.00000
Sb6 Sb 0.75000 0.99427 0.69682 1.00000
Sb7 Sb 0.75000 0.50573 0.19682 1.00000
Sb8 Sb 0.25000 0.49427 0.80318 1.00000
Pd1 Pd 0.25000 0.13367 0.12468 1.00000
Pd2 Pd 0.75000 0.86633 0.87532 1.00000
Pd3 Pd 0.75000 0.63367 0.37532 1.00000
Pd4 Pd 0.25000 0.36633 0.62468 1.00000
