KLa(H4Au)2
Alexandria ALEXAlex-ID: agm007206945 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
KH6Au LaH3 La14Au51 KH2Au
2024-01-28 13:56:43.433738
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007206945).
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 agm007206945
data_agm007206945
_cell_length_a 5.69847
_cell_length_b 4.84152
_cell_length_c 7.82210
_cell_angle_alpha 97.63835
_cell_angle_beta 73.08773
_cell_angle_gamma 125.34947
_cell_volume 168.23371
_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 0.00000 0.00000 0.00000 1.00000
La1 La 0.00000 0.50000 0.50000 1.00000
H1 H 0.68753 0.74519 0.38988 1.00000
H2 H 0.15786 0.60425 0.77155 1.00000
H3 H 0.31247 0.25481 0.61012 1.00000
H4 H 0.70403 0.06026 0.73778 1.00000
H5 H 0.29597 0.93974 0.26222 1.00000
H6 H 0.68998 0.54266 0.77271 1.00000
H7 H 0.31002 0.45734 0.22729 1.00000
H8 H 0.84214 0.39575 0.22845 1.00000
Au1 Au 0.49844 0.65138 0.68976 1.00000
Au2 Au 0.50156 0.34862 0.31024 1.00000
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