Ce3Bi3C
Alexandria ALEXAlex-ID: agm003545210 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_325_spg12
CeBi C
2022-03-23 10:29:47.501947
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545210).
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 agm003545210
data_agm003545210
_cell_length_a 7.04922
_cell_length_b 7.04922
_cell_length_c 8.66841
_cell_angle_alpha 97.30138
_cell_angle_beta 97.30138
_cell_angle_gamma 107.02244
_cell_volume 402.35992
_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 0.86125 0.86125 0.12622 1.00000
Ce2 Ce 0.89339 0.56285 0.73261 1.00000
Ce3 Ce 0.56285 0.89339 0.73261 1.00000
Ce4 Ce 0.10661 0.43715 0.26739 1.00000
Ce5 Ce 0.43715 0.10661 0.26739 1.00000
Ce6 Ce 0.13875 0.13875 0.87378 1.00000
Bi1 Bi 0.62498 0.62498 0.40021 1.00000
Bi2 Bi 0.14870 0.85130 0.50000 1.00000
Bi3 Bi 0.85130 0.14870 0.50000 1.00000
Bi4 Bi 0.30050 0.69950 0.00000 1.00000
Bi5 Bi 0.69950 0.30050 0.00000 1.00000
Bi6 Bi 0.37502 0.37502 0.59979 1.00000
C1 C 0.85092 0.85092 0.85519 1.00000
C2 C 0.14908 0.14908 0.14481 1.00000
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