Cs2Ba(NaBi)2
Alexandria ALEXAlex-ID: agm024483480 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Cs2NaBi BaNaBi
2025-04-18 16:09:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024483480).
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 agm024483480
data_agm024483480
_cell_length_a 11.80858
_cell_length_b 11.80858
_cell_length_c 11.80858
_cell_angle_alpha 27.74829
_cell_angle_beta 27.74829
_cell_angle_gamma 27.74829
_cell_volume 315.15555
_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 0.87407 0.87407 0.87407 1.00000
Cs2 Cs 0.12593 0.12593 0.12593 1.00000
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Na1 Na 0.38327 0.38327 0.38327 1.00000
Na2 Na 0.61673 0.61673 0.61673 1.00000
Bi1 Bi 0.27280 0.27280 0.27280 1.00000
Bi2 Bi 0.72720 0.72720 0.72720 1.00000
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