KAc(CuH4)2
Alexandria ALEXAlex-ID: agm007207660 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1151_spg2
KH7 AcH3 KCuH2 Cu
2024-01-28 13:46:55.411189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007207660).
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 agm007207660
data_agm007207660
_cell_length_a 4.58454
_cell_length_b 4.89941
_cell_length_c 7.69721
_cell_angle_alpha 100.41904
_cell_angle_beta 96.95297
_cell_angle_gamma 106.05438
_cell_volume 160.71011
_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
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
Cu1 Cu 0.90499 0.51771 0.33331 1.00000
Cu2 Cu 0.09501 0.48229 0.66669 1.00000
H1 H 0.61471 0.22742 0.23403 1.00000
H2 H 0.82967 0.44201 0.78125 1.00000
H3 H 0.38529 0.77258 0.76597 1.00000
H4 H 0.18747 0.43756 0.46550 1.00000
H5 H 0.81253 0.56244 0.53450 1.00000
H6 H 0.09609 0.15273 0.66464 1.00000
H7 H 0.90391 0.84727 0.33536 1.00000
H8 H 0.17033 0.55799 0.21875 1.00000
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