Cs3K7Cd4
Alexandria ALEXAlex-ID: agm005698139 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
Cs6K7 K2Cd3 CsK2
2023-06-29 16:44:11.610522
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698139).
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 agm005698139
data_agm005698139
_cell_length_a 5.76610
_cell_length_b 11.93612
_cell_length_c 12.98939
_cell_angle_alpha 72.50070
_cell_angle_beta 77.17617
_cell_angle_gamma 76.02256
_cell_volume 816.53347
_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 0.30679 0.17810 0.20832 1.00000
Cs2 Cs 0.69321 0.82190 0.79168 1.00000
Cs3 Cs 0.00000 0.50000 0.50000 1.00000
K1 K 0.31588 0.84822 0.52002 1.00000
K2 K 0.49029 0.24247 0.77695 1.00000
K3 K 0.82991 0.41218 0.92800 1.00000
K4 K 0.68412 0.15178 0.47998 1.00000
K5 K 0.17009 0.58782 0.07200 1.00000
K6 K 0.00000 0.00000 0.00000 1.00000
K7 K 0.50971 0.75753 0.22305 1.00000
Cd1 Cd 0.66533 0.42645 0.24289 1.00000
Cd2 Cd 0.33467 0.57355 0.75711 1.00000
Cd3 Cd 0.88644 0.91241 0.31472 1.00000
Cd4 Cd 0.11356 0.08759 0.68528 1.00000
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