K2Cd3HgAu4
Alexandria ALEXAlex-ID: agm004524924 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_52_spg115
KCd2Au3 K2Au3 KHg2 K(Cd2Au)2
2022-06-21 07:16:27.241651
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004524924).
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 agm004524924
data_agm004524924
_cell_length_a 5.00570
_cell_length_b 5.00570
_cell_length_c 10.84229
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 271.67557
_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 0.50000 0.00000 0.24445 1.00000
K2 K 0.00000 0.50000 0.75555 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
Cd2 Cd 0.50000 0.00000 0.88075 1.00000
Cd3 Cd 0.00000 0.50000 0.11925 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
Au3 Au 0.50000 0.00000 0.62844 1.00000
Au4 Au 0.00000 0.50000 0.37156 1.00000
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