Sm4TiPd3
Alexandria ALEXAlex-ID: agm013138512 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_157_spg140
Sm3Pd Ti SmPd
2024-06-02 00:45:15.853337
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013138512).
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 agm013138512
data_agm013138512
_cell_length_a 8.52223
_cell_length_b 8.52223
_cell_length_c 8.52223
_cell_angle_alpha 96.60499
_cell_angle_beta 96.60499
_cell_angle_gamma 140.34963
_cell_volume 371.54764
_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 0.41763 0.27831 0.69595 1.00000
Sm2 Sm 0.58237 0.72169 0.30405 1.00000
Sm3 Sm 0.72169 0.41763 0.13932 1.00000
Sm4 Sm 0.08237 0.77831 0.86068 1.00000
Sm5 Sm 0.27831 0.58237 0.86068 1.00000
Sm6 Sm 0.91763 0.22169 0.13932 1.00000
Sm7 Sm 0.77831 0.91763 0.69595 1.00000
Sm8 Sm 0.22169 0.08237 0.30405 1.00000
Ti1 Ti 0.75000 0.25000 0.50000 1.00000
Ti2 Ti 0.25000 0.75000 0.50000 1.00000
Pd1 Pd 0.75000 0.75000 0.00000 1.00000
Pd2 Pd 0.25000 0.25000 0.00000 1.00000
Pd3 Pd 0.34833 0.84833 0.19665 1.00000
Pd4 Pd 0.65167 0.15167 0.80335 1.00000
Pd5 Pd 0.15167 0.34833 0.50000 1.00000
Pd6 Pd 0.84833 0.65167 0.50000 1.00000
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