Ce5BiSb4
Alexandria ALEXAlex-ID: agm062228596 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_62_spg12
CeBi CeSb
2025-01-29 07:53:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062228596).
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 agm062228596
data_agm062228596
_cell_length_a 7.83668
_cell_length_b 7.83668
_cell_length_c 11.07970
_cell_angle_alpha 61.85051
_cell_angle_beta 118.14949
_cell_angle_gamma 146.47626
_cell_volume 327.01710
_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 0.20156 0.79844 0.80395 1.00000
Ce2 Ce 0.79844 0.20156 0.19605 1.00000
Ce3 Ce 0.39740 0.60260 0.60203 1.00000
Ce4 Ce 0.00000 0.00000 0.00000 1.00000
Ce5 Ce 0.60260 0.39740 0.39797 1.00000
Bi1 Bi 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.59892 0.40108 0.89900 1.00000
Sb2 Sb 0.20099 0.79901 0.29879 1.00000
Sb3 Sb 0.79901 0.20099 0.70121 1.00000
Sb4 Sb 0.40108 0.59892 0.10100 1.00000
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