Sm6In23Pd12
Alexandria ALEXAlex-ID: agm009484152 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A6B12C23_0_spg12
Sm2In5Pd3 In3Pd2 Sm4In21Pd10
2024-11-13 10:08:40.810535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009484152).
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 agm009484152
data_agm009484152
_cell_length_a 14.35817
_cell_length_b 14.35817
_cell_length_c 15.07405
_cell_angle_alpha 67.08902
_cell_angle_beta 67.08902
_cell_angle_gamma 18.28420
_cell_volume 895.96269
_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 0.54655 0.54655 0.30272 1.00000
Sm2 Sm 0.83498 0.83498 0.52957 1.00000
Sm3 Sm 0.17954 0.17954 0.91923 1.00000
Sm4 Sm 0.82046 0.82046 0.08077 1.00000
Sm5 Sm 0.16502 0.16502 0.47043 1.00000
Sm6 Sm 0.45345 0.45345 0.69728 1.00000
In1 In 0.40653 0.40653 0.95501 1.00000
In2 In 0.94330 0.94330 0.06599 1.00000
In3 In 0.14363 0.14363 0.71791 1.00000
In4 In 0.72989 0.72989 0.75173 1.00000
In5 In 0.95645 0.95645 0.33098 1.00000
In6 In 0.04355 0.04355 0.66902 1.00000
In7 In 0.76253 0.76253 0.91733 1.00000
In8 In 0.87697 0.87697 0.83021 1.00000
In9 In 0.12303 0.12303 0.16979 1.00000
In10 In 0.47354 0.47354 0.17246 1.00000
In11 In 0.59347 0.59347 0.04499 1.00000
In12 In 0.05670 0.05670 0.93401 1.00000
In13 In 0.42594 0.42594 0.50362 1.00000
In14 In 0.32413 0.32413 0.71975 1.00000
In15 In 0.00000 0.00000 0.50000 1.00000
In16 In 0.52646 0.52646 0.82754 1.00000
In17 In 0.28731 0.28731 0.43378 1.00000
In18 In 0.67587 0.67587 0.28025 1.00000
In19 In 0.23747 0.23747 0.08267 1.00000
In20 In 0.27011 0.27011 0.24827 1.00000
In21 In 0.71269 0.71269 0.56622 1.00000
In22 In 0.85637 0.85637 0.28209 1.00000
In23 In 0.57406 0.57406 0.49638 1.00000
Pd1 Pd 0.89923 0.89923 0.63562 1.00000
Pd2 Pd 0.32093 0.32093 0.90756 1.00000
Pd3 Pd 0.38078 0.38078 0.15506 1.00000
Pd4 Pd 0.03353 0.03353 0.13440 1.00000
Pd5 Pd 0.10077 0.10077 0.36438 1.00000
Pd6 Pd 0.60640 0.60640 0.64413 1.00000
Pd7 Pd 0.25127 0.25127 0.63681 1.00000
Pd8 Pd 0.67907 0.67907 0.09244 1.00000
Pd9 Pd 0.96647 0.96647 0.86560 1.00000
Pd10 Pd 0.39360 0.39360 0.35587 1.00000
Pd11 Pd 0.61922 0.61922 0.84494 1.00000
Pd12 Pd 0.74873 0.74873 0.36319 1.00000
