K2H4Au
Alexandria ALEXAlex-ID: agm007286290 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1932_spg11
KH7 KH KH2Au
2024-02-07 21:25:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007286290).
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 agm007286290
data_agm007286290
_cell_length_a 7.06469
_cell_length_b 7.06469
_cell_length_c 5.84030
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.40407
_cell_volume 284.68437
_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 0.34667 0.11475 0.75000 1.00000
K2 K 0.65333 0.88525 0.25000 1.00000
K3 K 0.11475 0.34667 0.25000 1.00000
K4 K 0.88525 0.65333 0.75000 1.00000
H1 H 0.79044 0.20956 0.46811 1.00000
H2 H 0.66404 0.95701 0.75000 1.00000
H3 H 0.33596 0.04299 0.25000 1.00000
H4 H 0.79044 0.20956 0.03189 1.00000
H5 H 0.95701 0.66404 0.25000 1.00000
H6 H 0.20956 0.79044 0.96811 1.00000
H7 H 0.20956 0.79044 0.53189 1.00000
H8 H 0.04299 0.33596 0.75000 1.00000
Au1 Au 0.82794 0.17206 0.75000 1.00000
Au2 Au 0.17206 0.82794 0.25000 1.00000
Get direct link