Cs3K7Au4
Alexandria ALEXAlex-ID: agm005702372 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
CsK2 Cs6Au K5Au3
2023-06-29 16:49:17.075145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702372).
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 agm005702372
data_agm005702372
_cell_length_a 5.36117
_cell_length_b 11.37337
_cell_length_c 12.04431
_cell_angle_alpha 71.91475
_cell_angle_beta 77.14055
_cell_angle_gamma 76.36772
_cell_volume 669.51762
_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
Cs1 Cs 0.30097 0.18077 0.21730 1.00000
Cs2 Cs 0.69903 0.81923 0.78270 1.00000
Cs3 Cs 0.00000 0.50000 0.50000 1.00000
K1 K 0.31619 0.84376 0.52385 1.00000
K2 K 0.49439 0.24428 0.76694 1.00000
K3 K 0.82737 0.42613 0.91913 1.00000
K4 K 0.68381 0.15624 0.47615 1.00000
K5 K 0.17263 0.57387 0.08087 1.00000
K6 K 0.00000 0.00000 0.00000 1.00000
K7 K 0.50561 0.75572 0.23306 1.00000
Au1 Au 0.66522 0.42761 0.24195 1.00000
Au2 Au 0.33478 0.57239 0.75805 1.00000
Au3 Au 0.87459 0.92125 0.32956 1.00000
Au4 Au 0.12541 0.07875 0.67044 1.00000
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