Ce(TiBi)6
Alexandria ALEXAlex-ID: agm024372378 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_7_spg71
Ce(TiBi)6
2025-02-13 10:48:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024372378).
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 agm024372378
data_agm024372378
_cell_length_a 7.63121
_cell_length_b 7.63121
_cell_length_c 7.63121
_cell_angle_alpha 134.30019
_cell_angle_beta 101.56450
_cell_angle_gamma 95.80317
_cell_volume 292.59549
_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
Ti1 Ti 0.50000 0.50000 0.50000 1.00000
Ti2 Ti 0.50000 0.00000 0.00000 1.00000
Ti3 Ti 0.00000 0.50000 0.00000 1.00000
Ti4 Ti 0.00000 0.00000 0.50000 1.00000
Ti5 Ti 0.74685 0.50000 0.24685 1.00000
Ti6 Ti 0.25315 0.50000 0.75315 1.00000
Bi1 Bi 0.67034 0.67034 0.00000 1.00000
Bi2 Bi 0.32966 0.32966 0.00000 1.00000
Bi3 Bi 0.32930 0.00000 0.32930 1.00000
Bi4 Bi 0.67070 0.00000 0.67070 1.00000
Bi5 Bi 0.16310 0.66310 0.50000 1.00000
Bi6 Bi 0.83690 0.33690 0.50000 1.00000
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