UCr(H4Au)2
Alexandria ALEXAlex-ID: agm007167844 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_449_spg2
U4H15 CrH Au H6Au
2024-01-28 12:49:34.184503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007167844).
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 agm007167844
data_agm007167844
_cell_length_a 3.48635
_cell_length_b 6.20321
_cell_length_c 6.06873
_cell_angle_alpha 112.34730
_cell_angle_beta 100.04283
_cell_angle_gamma 102.63767
_cell_volume 113.52134
_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 0.50000 0.00000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
H1 H 0.13068 0.27943 0.58025 1.00000
H2 H 0.06374 0.00358 0.71704 1.00000
H3 H 0.86932 0.72057 0.41975 1.00000
H4 H 0.57333 0.79197 0.73855 1.00000
H5 H 0.42667 0.20803 0.26145 1.00000
H6 H 0.70073 0.16578 0.91380 1.00000
H7 H 0.29927 0.83422 0.08620 1.00000
H8 H 0.93626 0.99642 0.28296 1.00000
Au1 Au 0.23369 0.55816 0.82234 1.00000
Au2 Au 0.76631 0.44184 0.17766 1.00000
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