Sm2NpPb9
Alexandria ALEXAlex-ID: agm045477044 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_10_spg123
SmPb3 Pb Np
2024-11-09 00:57:30.983081
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045477044).
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 agm045477044
data_agm045477044
_cell_length_a 4.88676
_cell_length_b 4.88676
_cell_length_c 14.65286
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 349.91669
_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 0.00000 0.00000 0.32883 1.00000
Sm2 Sm 0.00000 0.00000 0.67117 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.50000 0.50000 0.00000 1.00000
Pb2 Pb 0.50000 0.50000 0.33242 1.00000
Pb3 Pb 0.50000 0.50000 0.66758 1.00000
Pb4 Pb 0.50000 0.00000 0.16348 1.00000
Pb5 Pb 0.50000 0.00000 0.50000 1.00000
Pb6 Pb 0.50000 0.00000 0.83652 1.00000
Pb7 Pb 0.00000 0.50000 0.16348 1.00000
Pb8 Pb 0.00000 0.50000 0.50000 1.00000
Pb9 Pb 0.00000 0.50000 0.83652 1.00000
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