Np(AlAu3)2
Alexandria ALEXAlex-ID: agm005657895 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_43_spg12
Al3Au8 Np2(AlAu3)3 NpAu2
2023-07-06 10:16:37.841680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657895).
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 agm005657895
data_agm005657895
_cell_length_a 4.53163
_cell_length_b 7.01527
_cell_length_c 7.01508
_cell_angle_alpha 61.15433
_cell_angle_beta 78.71265
_cell_angle_gamma 78.71453
_cell_volume 190.22823
_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 0.99999 0.00000 0.00000 1.00000
Al1 Al 0.29137 0.68816 0.68816 1.00000
Al2 Al 0.70864 0.31184 0.31184 1.00000
Au1 Au 0.19934 0.11833 0.51952 1.00000
Au2 Au 0.80066 0.88166 0.48048 1.00000
Au3 Au 0.80068 0.48046 0.88166 1.00000
Au4 Au 0.50000 0.70964 0.29036 1.00000
Au5 Au 0.49999 0.29036 0.70964 1.00000
Au6 Au 0.19933 0.51954 0.11834 1.00000
Get direct link