Cs5(KNa6)2
Alexandria ALEXAlex-ID: agm005646383 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_262_spg12
KNa2 Cs Na
2023-06-26 00:04:14.329894
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646383).
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 agm005646383
data_agm005646383
_cell_length_a 9.63605
_cell_length_b 9.55274
_cell_length_c 12.98597
_cell_angle_alpha 68.41939
_cell_angle_beta 87.66558
_cell_angle_gamma 90.00000
_cell_volume 1110.50665
_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 0.56308 0.75316 0.49368 1.00000
Cs2 Cs 0.04985 0.69951 0.60099 1.00000
Cs3 Cs 0.50000 0.00000 0.00000 1.00000
Cs4 Cs 0.95015 0.30049 0.39901 1.00000
Cs5 Cs 0.43692 0.24684 0.50632 1.00000
K1 K 0.00000 0.73629 0.00000 1.00000
K2 K 1.00000 0.26371 1.00000 1.00000
Na1 Na 0.10360 0.12548 0.74905 1.00000
Na2 Na 0.74989 0.32293 0.73385 1.00000
Na3 Na 0.74989 0.94322 0.73385 1.00000
Na4 Na 0.35951 0.40838 0.79955 1.00000
Na5 Na 0.35951 0.79206 0.79955 1.00000
Na6 Na 0.65694 0.54658 0.90683 1.00000
Na7 Na 0.34306 0.45342 0.09317 1.00000
Na8 Na 0.64049 0.59162 0.20045 1.00000
Na9 Na 0.64049 0.20794 0.20045 1.00000
Na10 Na 0.25011 0.67707 0.26615 1.00000
Na11 Na 0.25011 0.05678 0.26615 1.00000
Na12 Na 0.89640 0.87452 0.25095 1.00000
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