Cs12Rb7Na2
Alexandria ALEXAlex-ID: agm005673874 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_32_spg147
Cs Rb Na
2023-06-22 09:29:52.448041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673874).
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 agm005673874
data_agm005673874
_cell_length_a 5.33435
_cell_length_b 21.27617
_cell_length_c 21.27617
_cell_angle_alpha 120.00000
_cell_angle_beta 89.99985
_cell_angle_gamma 90.00003
_cell_volume 2091.21608
_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 0.76408 0.63188 0.08381 1.00000
Cs2 Cs 0.76408 0.45192 0.36812 1.00000
Cs3 Cs 0.76408 0.91619 0.54808 1.00000
Cs4 Cs 0.23592 0.36812 0.91619 1.00000
Cs5 Cs 0.23592 0.54808 0.63188 1.00000
Cs6 Cs 0.23592 0.08381 0.45192 1.00000
Cs7 Cs 0.22412 0.18724 0.25511 1.00000
Cs8 Cs 0.22412 0.06787 0.81276 1.00000
Cs9 Cs 0.22412 0.74489 0.93213 1.00000
Cs10 Cs 0.77588 0.81276 0.74489 1.00000
Cs11 Cs 0.77588 0.93213 0.18724 1.00000
Cs12 Cs 0.77588 0.25511 0.06787 1.00000
Rb1 Rb 0.50000 0.00000 0.00000 1.00000
Rb2 Rb 0.27664 0.80746 0.30879 1.00000
Rb3 Rb 0.27664 0.50133 0.19254 1.00000
Rb4 Rb 0.27664 0.69121 0.49867 1.00000
Rb5 Rb 0.72336 0.19254 0.69121 1.00000
Rb6 Rb 0.72336 0.49867 0.80746 1.00000
Rb7 Rb 0.72336 0.30879 0.50133 1.00000
Na1 Na 0.22088 0.33333 0.66667 1.00000
Na2 Na 0.77912 0.66667 0.33333 1.00000
