Np2U4P3
Alexandria ALEXAlex-ID: agm005657216 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_430_spg15
U2P Np2P
2023-06-27 23:28:43.674399
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657216).
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 agm005657216
data_agm005657216
_cell_length_a 5.89310
_cell_length_b 7.91074
_cell_length_c 7.91074
_cell_angle_alpha 79.78929
_cell_angle_beta 78.23842
_cell_angle_gamma 78.23842
_cell_volume 349.90422
_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
Np1 Np 0.59720 0.42745 0.17880 1.00000
Np2 Np 0.90280 0.82120 0.57255 1.00000
Np3 Np 0.40280 0.57255 0.82120 1.00000
Np4 Np 0.09720 0.17880 0.42745 1.00000
U1 U 0.49384 0.26510 0.96300 1.00000
U2 U 0.00616 0.03700 0.73490 1.00000
U3 U 0.50616 0.73490 0.03700 1.00000
U4 U 0.99384 0.96300 0.26510 1.00000
U5 U 0.97058 0.47094 0.25082 1.00000
U6 U 0.52942 0.74918 0.52906 1.00000
U7 U 0.02942 0.52906 0.74918 1.00000
U8 U 0.47058 0.25082 0.47094 1.00000
P1 P 0.99010 0.23974 0.99531 1.00000
P2 P 0.50990 0.00469 0.76026 1.00000
P3 P 0.00990 0.76026 0.00469 1.00000
P4 P 0.49010 0.99531 0.23974 1.00000
P5 P 0.75000 0.38268 0.61732 1.00000
P6 P 0.25000 0.61732 0.38268 1.00000
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