Np(H3Au2)2
Alexandria ALEXAlex-ID: agm006758463 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_1227_spg1
H6Au NpH3 Au
2025-05-27 01:03:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006758463).
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 agm006758463
data_agm006758463
_cell_length_a 4.17550
_cell_length_b 6.34460
_cell_length_c 5.98382
_cell_angle_alpha 71.04778
_cell_angle_beta 73.81968
_cell_angle_gamma 74.00942
_cell_volume 140.97292
_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 0.55672 0.69037 0.88553 1.00000
H1 H 0.03234 0.58963 0.04661 1.00000
H2 H 0.62208 0.29068 0.07217 1.00000
H3 H 0.07543 0.79433 0.73232 1.00000
H4 H 0.83520 0.41902 0.67268 1.00000
H5 H 0.45293 0.09488 0.70382 1.00000
H6 H 0.28004 0.95164 0.10593 1.00000
Au1 Au 0.04202 0.18387 0.90052 1.00000
Au2 Au 0.56080 0.18395 0.38890 1.00000
Au3 Au 0.88931 0.53514 0.35913 1.00000
Au4 Au 0.22367 0.83704 0.42077 1.00000
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