Cs12Rb5Na2
Alexandria ALEXAlex-ID: agm005643049 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_404_spg12
Cs Rb Na
2023-06-26 01:41:33.029316
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643049).
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 agm005643049
data_agm005643049
_cell_length_a 10.47750
_cell_length_b 14.05091
_cell_length_c 14.33392
_cell_angle_alpha 100.07928
_cell_angle_beta 111.43707
_cell_angle_gamma 90.00001
_cell_volume 1929.20074
_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 0.04147 0.18339 0.08294 1.00000
Cs2 Cs 0.38585 0.90196 0.29541 1.00000
Cs3 Cs 0.90956 0.90196 0.29541 1.00000
Cs4 Cs 0.40404 0.52642 0.31701 1.00000
Cs5 Cs 0.91297 0.52642 0.31701 1.00000
Cs6 Cs 0.50074 0.69114 0.00148 1.00000
Cs7 Cs 0.49926 0.30886 0.99852 1.00000
Cs8 Cs 0.59596 0.47358 0.68299 1.00000
Cs9 Cs 0.08703 0.47358 0.68299 1.00000
Cs10 Cs 0.61415 0.09804 0.70459 1.00000
Cs11 Cs 0.09044 0.09804 0.70459 1.00000
Cs12 Cs 0.95853 0.81661 0.91706 1.00000
Rb1 Rb 0.77888 0.77282 0.55775 1.00000
Rb2 Rb 0.67409 0.20685 0.34817 1.00000
Rb3 Rb 0.00000 0.50000 0.00000 1.00000
Rb4 Rb 0.32591 0.79315 0.65183 1.00000
Rb5 Rb 0.22112 0.22718 0.44225 1.00000
Na1 Na 0.66148 1.00000 1.00000 1.00000
Na2 Na 0.33852 0.00000 0.00000 1.00000
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