Cs4Rb3Na5
Alexandria ALEXAlex-ID: agm005693596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_48_spg12
Cs Rb Na
2023-07-01 10:59:27.787145
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693596).
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 agm005693596
data_agm005693596
_cell_length_a 9.69353
_cell_length_b 9.69353
_cell_length_c 16.71965
_cell_angle_alpha 60.60176
_cell_angle_beta 60.60176
_cell_angle_gamma 44.94127
_cell_volume 940.23785
_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 0.03827 0.03827 0.16583 1.00000
Cs2 Cs 0.73245 0.73245 0.22232 1.00000
Cs3 Cs 0.26755 0.26755 0.77768 1.00000
Cs4 Cs 0.96173 0.96173 0.83417 1.00000
Rb1 Rb 0.67325 0.67325 0.59475 1.00000
Rb2 Rb 0.00000 0.00000 0.50000 1.00000
Rb3 Rb 0.32675 0.32675 0.40525 1.00000
Na1 Na 0.42935 0.42935 0.12206 1.00000
Na2 Na 0.50000 0.50000 0.50000 1.00000
Na3 Na 0.68237 0.68237 0.99757 1.00000
Na4 Na 0.31763 0.31763 0.00243 1.00000
Na5 Na 0.57065 0.57065 0.87794 1.00000
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