Ce6SmPb8
Alexandria ALEXAlex-ID: agm071661893 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_62_spg148
Sm5Pb4 Ce5Pb4 CePb2
2024-10-05 16:00:49.252921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071661893).
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
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# CIF generated by HEAS from Alexandria entry agm071661893
data_agm071661893
_cell_length_a 8.40921
_cell_length_b 8.40921
_cell_length_c 8.40921
_cell_angle_alpha 68.12741
_cell_angle_beta 68.12741
_cell_angle_gamma 68.12741
_cell_volume 492.89877
_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
Ce1 Ce 0.14553 0.66828 0.41297 1.00000
Ce2 Ce 0.41297 0.14553 0.66828 1.00000
Ce3 Ce 0.66828 0.41297 0.14553 1.00000
Ce4 Ce 0.85447 0.33172 0.58703 1.00000
Ce5 Ce 0.58703 0.85447 0.33172 1.00000
Ce6 Ce 0.33172 0.58703 0.85447 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.29790 0.29790 0.29790 1.00000
Pb2 Pb 0.70210 0.70210 0.70210 1.00000
Pb3 Pb 0.83008 0.05002 0.41138 1.00000
Pb4 Pb 0.41138 0.83008 0.05002 1.00000
Pb5 Pb 0.05002 0.41138 0.83008 1.00000
Pb6 Pb 0.16992 0.94998 0.58862 1.00000
Pb7 Pb 0.58862 0.16992 0.94998 1.00000
Pb8 Pb 0.94998 0.58862 0.16992 1.00000
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