Np2Zn5Au12
Alexandria ALEXAlex-ID: agm005679347 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_274_spg166
Np(ZnAu2)2 ZnAu3 NpAu2
2023-06-26 15:56:52.048815
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679347).
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 agm005679347
data_agm005679347
_cell_length_a 7.19647
_cell_length_b 7.19647
_cell_length_c 7.19647
_cell_angle_alpha 81.61350
_cell_angle_beta 81.61352
_cell_angle_gamma 81.61352
_cell_volume 361.80363
_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 0.64204 0.64204 0.64204 1.00000
Np2 Np 0.35796 0.35796 0.35796 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Zn2 Zn 0.00000 0.50000 0.00000 1.00000
Zn3 Zn 0.50000 0.00000 0.00000 1.00000
Zn4 Zn 0.89906 0.89906 0.89906 1.00000
Zn5 Zn 0.10094 0.10094 0.10094 1.00000
Au1 Au 0.30492 0.69508 1.00000 1.00000
Au2 Au 0.69508 0.00000 0.30492 1.00000
Au3 Au 0.00000 0.30492 0.69508 1.00000
Au4 Au 0.69508 0.30492 0.00000 1.00000
Au5 Au 0.30492 1.00000 0.69508 1.00000
Au6 Au 1.00000 0.69508 0.30492 1.00000
Au7 Au 0.34051 0.34051 0.86361 1.00000
Au8 Au 0.34051 0.86361 0.34051 1.00000
Au9 Au 0.86361 0.34051 0.34051 1.00000
Au10 Au 0.65949 0.13639 0.65949 1.00000
Au11 Au 0.65949 0.65949 0.13639 1.00000
Au12 Au 0.13639 0.65949 0.65949 1.00000
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