Np2SnAu6
Alexandria ALEXAlex-ID: agm005773197 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_648_spg12
NpAu4 SnAu NpAu2
2023-07-12 22:56:16.122696
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773197).
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 agm005773197
data_agm005773197
_cell_length_a 5.78468
_cell_length_b 5.76453
_cell_length_c 5.76814
_cell_angle_alpha 94.78205
_cell_angle_beta 94.72426
_cell_angle_gamma 94.77763
_cell_volume 190.23479
_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 0.65580 0.65692 0.65677 1.00000
Np2 Np 0.34420 0.34308 0.34323 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.16603 0.49964 0.83354 1.00000
Au2 Au 0.83397 0.16639 0.50036 1.00000
Au3 Au 0.83397 0.50036 0.16646 1.00000
Au4 Au 0.49995 0.16635 0.83368 1.00000
Au5 Au 0.16603 0.83361 0.49964 1.00000
Au6 Au 0.50005 0.83365 0.16632 1.00000
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