Ce3Bi2Sb
Alexandria ALEXAlex-ID: agm040523866 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_648_spg12
CeBi CeSb
2025-01-03 11:23:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040523866).
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 agm040523866
data_agm040523866
_cell_length_a 10.21968
_cell_length_b 10.21968
_cell_length_c 10.21968
_cell_angle_alpha 154.15854
_cell_angle_beta 154.15854
_cell_angle_gamma 36.86921
_cell_volume 202.51071
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.33567 0.33567 0.00000 1.00000
Ce3 Ce 0.66433 0.66433 1.00000 1.00000
Bi1 Bi 0.16739 0.16739 0.00000 1.00000
Bi2 Bi 0.83261 0.83261 0.00000 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
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