Cs(RbLi2)2
Alexandria ALEXAlex-ID: agm096505250 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_942_spg121
Cs Rb Li
2025-04-10 21:41:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096505250).
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 agm096505250
data_agm096505250
_cell_length_a 4.70145
_cell_length_b 9.41580
_cell_length_c 9.41430
_cell_angle_alpha 121.04791
_cell_angle_beta 90.00582
_cell_angle_gamma 90.00915
_cell_volume 357.04597
_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 0.00000 0.50000 0.00000 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.50000 0.00000 0.50000 1.00000
Li1 Li 0.50010 0.59938 0.67734 1.00000
Li2 Li 0.99988 0.34967 0.50203 1.00000
Li3 Li 0.00012 0.65033 0.49797 1.00000
Li4 Li 0.49990 0.40062 0.32266 1.00000
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