Sm3Np8U
Alexandria ALEXAlex-ID: agm012898536 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_866_spg1
Sm Np U
2024-07-20 03:44:31.669429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012898536).
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 agm012898536
data_agm012898536
_cell_length_a 5.43962
_cell_length_b 5.59239
_cell_length_c 13.59135
_cell_angle_alpha 130.79960
_cell_angle_beta 69.14323
_cell_angle_gamma 117.58292
_cell_volume 276.52963
_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 0.42254 0.50437 0.42637 1.00000
Sm2 Sm 0.77206 0.92314 0.25870 1.00000
Sm3 Sm 0.71537 0.41468 0.58164 1.00000
Np1 Np 0.34300 0.18111 0.11924 1.00000
Np2 Np 0.43833 0.89710 0.88581 1.00000
Np3 Np 0.04740 0.13896 0.64347 1.00000
Np4 Np 0.91345 0.24867 0.11016 1.00000
Np5 Np 0.88735 0.85382 0.87412 1.00000
Np6 Np 0.10127 0.79439 0.40053 1.00000
Np7 Np 0.27753 0.64520 0.06794 1.00000
Np8 Np 0.77425 0.34710 0.85441 1.00000
U1 U 0.30574 0.07836 0.74729 1.00000
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