K2UH8Au
Alexandria ALEXAlex-ID: agm007245874 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2018_spg6
KH7 KH U4H15 KH2Au
2024-02-08 19:12:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007245874).
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 agm007245874
data_agm007245874
_cell_length_a 3.69292
_cell_length_b 6.03828
_cell_length_c 6.96359
_cell_angle_alpha 81.05156
_cell_angle_beta 89.98077
_cell_angle_gamma 89.97227
_cell_volume 153.39025
_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
K1 K 0.54176 0.05487 0.67373 1.00000
K2 K 0.54165 0.58995 0.47190 1.00000
U1 U 0.04164 0.50751 0.96833 1.00000
H1 H 0.04170 0.68062 0.21868 1.00000
H2 H 0.04178 0.88294 0.92867 1.00000
H3 H 0.04170 0.73037 0.70841 1.00000
H4 H 0.04158 0.36462 0.70458 1.00000
H5 H 0.54173 0.33319 0.92271 1.00000
H6 H 0.04156 0.18669 0.29292 1.00000
H7 H 0.54160 0.65114 0.84861 1.00000
H8 H 0.54159 0.51727 0.12335 1.00000
Au1 Au 0.04172 0.00082 0.13811 1.00000
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