Np(GeAu3)2
Alexandria ALEXAlex-ID: agm005657038 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1044_spg71
NpGe3 NpAu4 Au
2023-07-07 06:32:16.545606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657038).
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 agm005657038
data_agm005657038
_cell_length_a 4.50918
_cell_length_b 6.70964
_cell_length_c 6.70964
_cell_angle_alpha 88.75664
_cell_angle_beta 70.53669
_cell_angle_gamma 70.53668
_cell_volume 179.54905
_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
Ge1 Ge 0.35410 0.64723 0.64723 1.00000
Ge2 Ge 0.64590 0.35277 0.35277 1.00000
Au1 Au 0.17304 0.16230 0.48924 1.00000
Au2 Au 0.82696 0.83770 0.51076 1.00000
Au3 Au 0.82696 0.51076 0.83770 1.00000
Au4 Au 0.50000 0.78605 0.21395 1.00000
Au5 Au 0.50000 0.21395 0.78605 1.00000
Au6 Au 0.17304 0.48924 0.16230 1.00000
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