SmU(PN3)2
Alexandria ALEXAlex-ID: agm014143643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_420_spg15
SmU(PN3)2
2025-01-18 15:23:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014143643).
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 agm014143643
data_agm014143643
_cell_length_a 6.95347
_cell_length_b 6.95347
_cell_length_c 5.39278
_cell_angle_alpha 80.02106
_cell_angle_beta 99.97894
_cell_angle_gamma 93.20568
_cell_volume 252.82527
_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 0.16438 0.16438 0.25000 1.00000
Sm2 Sm 0.83562 0.83562 0.75000 1.00000
U1 U 0.60714 0.60714 0.25000 1.00000
U2 U 0.39286 0.39286 0.75000 1.00000
P1 P 0.87415 0.29806 0.73248 1.00000
P2 P 0.29806 0.87415 0.76752 1.00000
P3 P 0.12585 0.70194 0.26752 1.00000
P4 P 0.70194 0.12585 0.23248 1.00000
N1 N 0.63464 0.90099 0.32046 1.00000
N2 N 0.90099 0.63464 0.17954 1.00000
N3 N 0.36536 0.09901 0.67954 1.00000
N4 N 0.09901 0.36536 0.82046 1.00000
N5 N 0.86884 0.17628 0.48577 1.00000
N6 N 0.17628 0.86884 0.01423 1.00000
N7 N 0.13116 0.82372 0.51423 1.00000
N8 N 0.82372 0.13116 0.98577 1.00000
N9 N 0.52604 0.28286 0.15697 1.00000
N10 N 0.28286 0.52604 0.34303 1.00000
N11 N 0.47396 0.71714 0.84303 1.00000
N12 N 0.71714 0.47396 0.65697 1.00000
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