Cs4Rb2Na
Alexandria ALEXAlex-ID: agm096463701 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1703_spg8
Cs Rb Na
2025-04-11 10:43:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096463701).
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 agm096463701
data_agm096463701
_cell_length_a 7.85140
_cell_length_b 9.20853
_cell_length_c 12.57029
_cell_angle_alpha 120.03474
_cell_angle_beta 107.66396
_cell_angle_gamma 65.04184
_cell_volume 708.37803
_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 0.69025 0.44706 0.82779 1.00000
Cs2 Cs 0.66267 0.03534 0.35644 1.00000
Cs3 Cs 0.33733 0.96466 0.64356 1.00000
Cs4 Cs 0.30975 0.55294 0.17221 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.00000 0.50000 0.50000 1.00000
Na1 Na 0.50000 0.00000 0.00000 1.00000
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