Cs3Rb3Na8
Alexandria ALEXAlex-ID: agm005696147 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
Cs Rb Na
2023-07-01 12:34:16.109083
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696147).
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
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# CIF generated by HEAS from Alexandria entry agm005696147
data_agm005696147
_cell_length_a 12.83860
_cell_length_b 12.83860
_cell_length_c 12.83860
_cell_angle_alpha 153.83367
_cell_angle_beta 105.39176
_cell_angle_gamma 80.62270
_cell_volume 885.50433
_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 0.50000 0.50000 0.00000 1.00000
Cs2 Cs 0.20241 0.20241 0.00000 1.00000
Cs3 Cs 0.79759 0.79759 0.00000 1.00000
Rb1 Rb 0.00000 0.50000 0.50000 1.00000
Rb2 Rb 0.77161 0.00000 0.77161 1.00000
Rb3 Rb 0.22839 0.00000 0.22839 1.00000
Na1 Na 0.06007 0.32085 0.73921 1.00000
Na2 Na 0.93993 0.67915 0.26079 1.00000
Na3 Na 0.58164 0.32085 0.26079 1.00000
Na4 Na 0.41836 0.67915 0.73921 1.00000
Na5 Na 0.77745 0.16204 0.61541 1.00000
Na6 Na 0.22255 0.83796 0.38459 1.00000
Na7 Na 0.54663 0.16204 0.38459 1.00000
Na8 Na 0.45337 0.83796 0.61541 1.00000
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