Np7UAl2
Alexandria ALEXAlex-ID: agm013136767 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_265_spg10
NpU3Al8 UAl Np
2024-05-28 09:12:30.603419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013136767).
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 agm013136767
data_agm013136767
_cell_length_a 7.92521
_cell_length_b 7.92521
_cell_length_c 9.41480
_cell_angle_alpha 70.42264
_cell_angle_beta 70.42264
_cell_angle_gamma 19.32984
_cell_volume 184.08116
_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 0.70078 0.70078 0.38408 1.00000
Np2 Np 0.29922 0.29922 0.61592 1.00000
Np3 Np 0.91861 0.91861 0.77353 1.00000
Np4 Np 0.08139 0.08139 0.22647 1.00000
Np5 Np 0.62252 0.62252 0.66614 1.00000
Np6 Np 0.37748 0.37748 0.33386 1.00000
Np7 Np 0.00000 0.00000 0.50000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.30496 0.30496 0.07150 1.00000
Al2 Al 0.69504 0.69504 0.92850 1.00000
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