KCu2AgH6
Alexandria ALEXAlex-ID: agm095323929 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_238_spg12
KCuH2 KH7 Ag Cu
2025-05-27 02:52:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095323929).
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 agm095323929
data_agm095323929
_cell_length_a 4.59549
_cell_length_b 5.14500
_cell_length_c 6.57780
_cell_angle_alpha 62.28128
_cell_angle_beta 85.86352
_cell_angle_gamma 81.45042
_cell_volume 136.14574
_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 0.00025 0.00032 0.99993 1.00000
Cu1 Cu 0.76756 0.88603 0.54175 1.00000
Cu2 Cu 0.23246 0.11380 0.45836 1.00000
Ag1 Ag 0.49989 0.50009 0.49987 1.00000
H1 H 0.08740 0.82162 0.65529 1.00000
H2 H 0.91260 0.17822 0.34486 1.00000
H3 H 0.47070 0.05922 0.66320 1.00000
H4 H 0.52939 0.94078 0.33676 1.00000
H5 H 0.73792 0.53726 0.70990 1.00000
H6 H 0.26183 0.46266 0.29008 1.00000
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