K3(H2Au)2
Alexandria ALEXAlex-ID: agm007269778 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_2_spg71
KH KH2Au KAu
2025-03-04 22:07:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007269778).
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 agm007269778
data_agm007269778
_cell_length_a 4.80655
_cell_length_b 7.04161
_cell_length_c 7.04444
_cell_angle_alpha 65.31477
_cell_angle_beta 69.96705
_cell_angle_gamma 69.96855
_cell_volume 197.89459
_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 0.69271 0.80702 0.80694 1.00000
K2 K 0.50000 0.50000 0.50000 1.00000
K3 K 0.30729 0.19298 0.19306 1.00000
H1 H 0.15220 0.63781 0.05468 1.00000
H2 H 0.84813 0.94420 0.36262 1.00000
H3 H 0.84780 0.36219 0.94532 1.00000
H4 H 0.15187 0.05580 0.63738 1.00000
Au1 Au 0.00019 0.79678 0.20289 1.00000
Au2 Au 0.99981 0.20322 0.79711 1.00000
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