PuAg(H4Au)2
Alexandria ALEXAlex-ID: agm007203344 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1096_spg2
AgAu AgAu6 PuH3 H6Au
2024-01-28 08:51:25.223066
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007203344).
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 agm007203344
data_agm007203344
_cell_length_a 3.68803
_cell_length_b 5.20214
_cell_length_c 7.16674
_cell_angle_alpha 105.45699
_cell_angle_beta 77.55030
_cell_angle_gamma 110.29331
_cell_volume 123.14075
_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
Pu1 Pu 0.50000 0.00000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 0.12910 0.23328 0.46710 1.00000
H2 H 0.94735 0.09483 0.74590 1.00000
H3 H 0.87090 0.76672 0.53290 1.00000
H4 H 0.31811 0.82214 0.79326 1.00000
H5 H 0.68189 0.17786 0.20674 1.00000
H6 H 0.61255 0.43762 0.75983 1.00000
H7 H 0.38745 0.56238 0.24017 1.00000
H8 H 0.05265 0.90517 0.25410 1.00000
Au1 Au 0.12127 0.45974 0.76719 1.00000
Au2 Au 0.87873 0.54026 0.23281 1.00000
Get direct link