UH4Au
Alexandria ALEXAlex-ID: agm007362875 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_58_spg15
U4H15 H6Au Au
2024-02-08 04:52:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007362875).
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 agm007362875
data_agm007362875
_cell_length_a 3.57131
_cell_length_b 5.99971
_cell_length_c 6.21997
_cell_angle_alpha 65.16604
_cell_angle_beta 90.25464
_cell_angle_gamma 83.01732
_cell_volume 119.82523
_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
U1 U 0.68835 0.52195 0.19103 1.00000
U2 U 0.18655 0.44575 0.74142 1.00000
H1 H 0.67102 0.52687 0.53266 1.00000
H2 H 0.22113 0.37867 0.42127 1.00000
H3 H 0.64013 0.66860 0.78012 1.00000
H4 H 0.16169 0.69345 0.31205 1.00000
H5 H 0.23627 0.29574 0.14279 1.00000
H6 H 0.16036 0.64978 0.97022 1.00000
H7 H 0.49796 0.00066 0.93914 1.00000
H8 H 0.71137 0.32005 0.96358 1.00000
Au1 Au 0.71246 0.01568 0.68432 1.00000
Au2 Au 0.11271 0.98280 0.32140 1.00000
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