KCe(H4Au)2
Alexandria ALEXAlex-ID: agm007207007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1390_spg5
KH6Au CeAu6 KH2Au CeH3
2024-01-28 14:30:45.582912
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007207007).
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 agm007207007
data_agm007207007
_cell_length_a 4.03784
_cell_length_b 4.74207
_cell_length_c 9.23572
_cell_angle_alpha 104.13184
_cell_angle_beta 89.84340
_cell_angle_gamma 115.20038
_cell_volume 154.13318
_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
Ce1 Ce 0.50000 0.00000 0.50000 1.00000
H1 H 0.73017 0.46369 0.09170 1.00000
H2 H 0.03538 0.07244 0.68519 1.00000
H3 H 0.26983 0.53631 0.90830 1.00000
H4 H 0.55426 0.10728 0.25286 1.00000
H5 H 0.44574 0.89272 0.74714 1.00000
H6 H 0.20216 0.40580 0.52842 1.00000
H7 H 0.79784 0.59420 0.47158 1.00000
H8 H 0.96462 0.92756 0.31481 1.00000
Au1 Au 0.75665 0.51325 0.27741 1.00000
Au2 Au 0.24335 0.48675 0.72259 1.00000
Get direct link