Sm4PtPb
Alexandria ALEXAlex-ID: agm005929092 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1121_spg11
Sm7Pt3 Sm5Pb3
2023-07-31 09:37:05.030044
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005929092).
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 agm005929092
data_agm005929092
_cell_length_a 6.27774
_cell_length_b 6.92894
_cell_length_c 8.87817
_cell_angle_alpha 90.00000
_cell_angle_beta 110.50232
_cell_angle_gamma 90.00000
_cell_volume 361.72175
_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 0.57901 0.25000 0.41836 1.00000
Sm2 Sm 0.42099 0.75000 0.58164 1.00000
Sm3 Sm 0.60196 0.25000 0.87360 1.00000
Sm4 Sm 0.39804 0.75000 0.12640 1.00000
Sm5 Sm 0.98491 0.00203 0.28118 1.00000
Sm6 Sm 0.01509 0.50203 0.71882 1.00000
Sm7 Sm 0.98491 0.49797 0.28118 1.00000
Sm8 Sm 0.01509 0.99797 0.71882 1.00000
Pt1 Pt 0.24294 0.25000 0.56052 1.00000
Pt2 Pt 0.75706 0.75000 0.43948 1.00000
Pb1 Pb 0.22882 0.25000 0.05588 1.00000
Pb2 Pb 0.77118 0.75000 0.94412 1.00000
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