Sm10Sb8Pd3O10
Alexandria ALEXAlex-ID: agm017401344 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C10D10_0_spg87
SmSbPd Sm2SbO2 Sb2Pd Sm2O3
2025-03-29 18:16:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017401344).
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 agm017401344
data_agm017401344
_cell_length_a 10.04588
_cell_length_b 10.04588
_cell_length_c 10.04588
_cell_angle_alpha 124.24906
_cell_angle_beta 124.24906
_cell_angle_gamma 82.78559
_cell_volume 665.05280
_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
Sm1 Sm 0.67664 0.67664 0.00000 1.00000
Sm2 Sm 0.32336 0.32336 0.00000 1.00000
Sm3 Sm 0.08113 0.47801 0.19844 1.00000
Sm4 Sm 0.27957 0.88269 0.80156 1.00000
Sm5 Sm 0.88269 0.08113 0.60312 1.00000
Sm6 Sm 0.47801 0.27957 0.39688 1.00000
Sm7 Sm 0.91887 0.52199 0.80156 1.00000
Sm8 Sm 0.72043 0.11731 0.19844 1.00000
Sm9 Sm 0.11731 0.91887 0.39688 1.00000
Sm10 Sm 0.52199 0.72043 0.60312 1.00000
Sb1 Sb 0.11661 0.24911 0.36573 1.00000
Sb2 Sb 0.88339 0.75089 0.63427 1.00000
Sb3 Sb 0.75089 0.11661 0.86750 1.00000
Sb4 Sb 0.24911 0.88339 0.13250 1.00000
Sb5 Sb 0.42588 0.27248 0.69836 1.00000
Sb6 Sb 0.57412 0.72752 0.30164 1.00000
Sb7 Sb 0.72752 0.42588 0.15340 1.00000
Sb8 Sb 0.27248 0.57412 0.84660 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.50000 0.00000 0.50000 1.00000
Pd3 Pd 0.00000 0.50000 0.50000 1.00000
O1 O 0.84903 0.94699 0.29928 1.00000
O2 O 0.64772 0.54975 0.70072 1.00000
O3 O 0.54975 0.84903 0.90203 1.00000
O4 O 0.94699 0.64772 0.09797 1.00000
O5 O 0.15097 0.05301 0.70072 1.00000
O6 O 0.35228 0.45025 0.29928 1.00000
O7 O 0.45025 0.15097 0.09797 1.00000
O8 O 0.05301 0.35228 0.90203 1.00000
O9 O 0.25000 0.75000 0.50000 1.00000
O10 O 0.75000 0.25000 0.50000 1.00000
