Ba2CeBi2
Alexandria ALEXAlex-ID: agm005963373 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1135_spg72
Ce2Bi Ce4Bi3 Ba3Bi2
2023-08-03 10:26:02.087900
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963373).
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 agm005963373
data_agm005963373
_cell_length_a 7.01783
_cell_length_b 9.11093
_cell_length_c 9.09057
_cell_angle_alpha 120.07413
_cell_angle_beta 112.70560
_cell_angle_gamma 90.00000
_cell_volume 450.18473
_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
Ba1 Ba 0.85491 0.70915 0.70982 1.00000
Ba2 Ba 0.14509 0.29085 0.29018 1.00000
Ba3 Ba 0.64509 0.99933 0.29018 1.00000
Ba4 Ba 0.35491 0.00067 0.70982 1.00000
Ce1 Ce 0.75000 0.50000 0.00000 1.00000
Ce2 Ce 0.25000 0.50000 0.00000 1.00000
Bi1 Bi 0.38824 0.63856 0.77648 1.00000
Bi2 Bi 0.61176 0.36144 0.22352 1.00000
Bi3 Bi 0.11176 0.86208 0.22352 1.00000
Bi4 Bi 0.88824 0.13792 0.77648 1.00000
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