Sm3MgPd3
Alexandria ALEXAlex-ID: agm003545586 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_288_spg12
SmMgPd SmPd
2022-04-03 03:07:07.020737
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545586).
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 agm003545586
data_agm003545586
_cell_length_a 6.92207
_cell_length_b 6.92207
_cell_length_c 7.14321
_cell_angle_alpha 91.59521
_cell_angle_beta 91.59521
_cell_angle_gamma 99.36670
_cell_volume 337.39143
_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 0.64713 0.64713 0.36272 1.00000
Sm2 Sm 0.17038 0.82962 0.50000 1.00000
Sm3 Sm 0.82962 0.17038 0.50000 1.00000
Sm4 Sm 0.25379 0.74621 0.00000 1.00000
Sm5 Sm 0.74621 0.25379 0.00000 1.00000
Sm6 Sm 0.35287 0.35287 0.63728 1.00000
Mg1 Mg 0.74220 0.74220 0.86541 1.00000
Mg2 Mg 0.25780 0.25780 0.13459 1.00000
Pd1 Pd 0.93098 0.93098 0.18102 1.00000
Pd2 Pd 0.96712 0.50869 0.71426 1.00000
Pd3 Pd 0.50869 0.96712 0.71426 1.00000
Pd4 Pd 0.03288 0.49131 0.28574 1.00000
Pd5 Pd 0.49131 0.03288 0.28574 1.00000
Pd6 Pd 0.06902 0.06902 0.81898 1.00000
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