Np2HgAu3
Alexandria ALEXAlex-ID: agm017249288 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_957_spg69
Np Hg NpAu2
2025-04-15 04:28:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017249288).
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 agm017249288
data_agm017249288
_cell_length_a 5.80997
_cell_length_b 5.81163
_cell_length_c 9.13704
_cell_angle_alpha 99.61375
_cell_angle_beta 99.66068
_cell_angle_gamma 118.35934
_cell_volume 256.58762
_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 0.25002 0.75007 0.50002 1.00000
Np2 Np 0.75386 0.75397 0.99997 1.00000
Np3 Np 0.74998 0.24993 0.49998 1.00000
Np4 Np 0.24614 0.24603 0.00003 1.00000
Hg1 Hg 0.33403 0.33402 0.66777 1.00000
Hg2 Hg 0.66597 0.66598 0.33223 1.00000
Au1 Au 0.66842 0.16627 0.83432 1.00000
Au2 Au 0.83370 0.33171 0.16566 1.00000
Au3 Au 0.33158 0.83373 0.16568 1.00000
Au4 Au 0.16630 0.66829 0.83434 1.00000
Au5 Au 0.83418 0.83421 0.66817 1.00000
Au6 Au 0.16582 0.16579 0.33183 1.00000
Get direct link