SmPu7Nb2
Alexandria ALEXAlex-ID: agm012773995 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_330_spg12
Sm Pu Nb
2024-07-11 03:27:33.297823
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012773995).
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 agm012773995
data_agm012773995
_cell_length_a 8.15955
_cell_length_b 8.15955
_cell_length_c 10.13883
_cell_angle_alpha 67.47936
_cell_angle_beta 67.47936
_cell_angle_gamma 21.24525
_cell_volume 225.26581
_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 0.50000 1.00000
Pu1 Pu 0.69631 0.69631 0.90041 1.00000
Pu2 Pu 0.30369 0.30369 0.09959 1.00000
Pu3 Pu 0.89813 0.89813 0.29355 1.00000
Pu4 Pu 0.10187 0.10187 0.70645 1.00000
Pu5 Pu 0.61635 0.61635 0.17486 1.00000
Pu6 Pu 0.38365 0.38365 0.82514 1.00000
Pu7 Pu 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.29610 0.29610 0.58965 1.00000
Nb2 Nb 0.70390 0.70390 0.41035 1.00000
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