Cs3Na2
Alexandria ALEXAlex-ID: agm007929366 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_10_spg43
Na Cs
2024-03-07 04:08:44.540661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007929366).
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 agm007929366
data_agm007929366
_cell_length_a 13.86074
_cell_length_b 12.17787
_cell_length_c 9.00607
_cell_angle_alpha 80.21211
_cell_angle_beta 59.97399
_cell_angle_gamma 39.81390
_cell_volume 777.18018
_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 0.43731 0.34598 0.48675 1.00000
Cs2 Cs 0.72997 0.48675 0.34598 1.00000
Cs3 Cs 0.90402 0.81269 0.52003 1.00000
Cs4 Cs 0.76325 0.52003 0.81269 1.00000
Cs5 Cs 0.09005 0.90995 0.90995 1.00000
Cs6 Cs 0.34005 0.15995 0.15995 1.00000
Na1 Na 0.55404 0.35060 0.90672 1.00000
Na2 Na 0.18864 0.90672 0.35060 1.00000
Na3 Na 0.89940 0.69596 0.06136 1.00000
Na4 Na 0.34328 0.06136 0.69596 1.00000
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