Np(SnAu2)2
Alexandria ALEXAlex-ID: agm006008166 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2826_spg12
SnAu NpAu2
2023-10-16 05:02:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006008166).
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
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# CIF generated by HEAS from Alexandria entry agm006008166
data_agm006008166
_cell_length_a 4.96936
_cell_length_b 4.92305
_cell_length_c 8.19201
_cell_angle_alpha 63.04808
_cell_angle_beta 67.68607
_cell_angle_gamma 62.17957
_cell_volume 154.36076
_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 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.77670 0.81203 0.75296 1.00000
Sn2 Sn 0.22330 0.18797 0.24704 1.00000
Au1 Au 0.75378 0.75495 0.42234 1.00000
Au2 Au 0.24622 0.24505 0.57766 1.00000
Au3 Au 0.58682 0.55544 0.18929 1.00000
Au4 Au 0.41318 0.44456 0.81071 1.00000
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