Cs3K7Na4
Alexandria ALEXAlex-ID: agm005703822 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
Cs6K7 KNa2 CsK2
2023-06-29 17:34:54.866861
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703822).
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 agm005703822
data_agm005703822
_cell_length_a 6.63607
_cell_length_b 12.49743
_cell_length_c 13.15462
_cell_angle_alpha 74.60671
_cell_angle_beta 75.39028
_cell_angle_gamma 74.60346
_cell_volume 994.50151
_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 0.30466 0.18135 0.20934 1.00000
Cs2 Cs 0.69534 0.81865 0.79066 1.00000
Cs3 Cs 0.00000 0.50000 0.50000 1.00000
K1 K 0.31605 0.84896 0.51893 1.00000
K2 K 0.48465 0.22519 0.80551 1.00000
K3 K 0.83371 0.40532 0.92727 1.00000
K4 K 0.68395 0.15104 0.48107 1.00000
K5 K 0.16629 0.59468 0.07273 1.00000
K6 K 0.00000 0.00000 0.00000 1.00000
K7 K 0.51535 0.77481 0.19449 1.00000
Na1 Na 0.65860 0.43518 0.24763 1.00000
Na2 Na 0.34140 0.56482 0.75237 1.00000
Na3 Na 0.89354 0.88616 0.32677 1.00000
Na4 Na 0.10646 0.11384 0.67323 1.00000
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