K3(Cd2Au)2
Alexandria ALEXAlex-ID: agm005602759 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
K2Cd3Au KCdAu
2023-06-27 06:05:14.425928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602759).
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 agm005602759
data_agm005602759
_cell_length_a 4.81777
_cell_length_b 6.59268
_cell_length_c 10.05448
_cell_angle_alpha 70.36474
_cell_angle_beta 76.13807
_cell_angle_gamma 68.56855
_cell_volume 277.48704
_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 0.31009 0.75492 0.62489 1.00000
K2 K 0.00000 0.00000 0.00000 1.00000
K3 K 0.68991 0.24508 0.37511 1.00000
Cd1 Cd 0.25513 0.39456 0.09519 1.00000
Cd2 Cd 0.74487 0.60544 0.90481 1.00000
Cd3 Cd 0.00382 0.33718 0.65519 1.00000
Cd4 Cd 0.99618 0.66282 0.34481 1.00000
Au1 Au 0.40796 0.92404 0.26004 1.00000
Au2 Au 0.59204 0.07596 0.73996 1.00000
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