CeTl2Bi3
Alexandria ALEXAlex-ID: agm019864993 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6611_spg12
Tl2Bi CeBi2
2025-04-13 14:37:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019864993).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm019864993
data_agm019864993
_cell_length_a 9.34865
_cell_length_b 9.34865
_cell_length_c 10.05655
_cell_angle_alpha 57.56130
_cell_angle_beta 122.43870
_cell_angle_gamma 149.35507
_cell_volume 372.31707
_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 0.16078 0.83922 0.16054 1.00000
Ce2 Ce 0.83922 0.16078 0.83946 1.00000
Tl1 Tl 0.50000 0.50000 0.00000 1.00000
Tl2 Tl 0.50000 0.50000 0.50000 1.00000
Tl3 Tl 0.83849 0.16151 0.33846 1.00000
Tl4 Tl 0.16151 0.83849 0.66154 1.00000
Bi1 Bi 0.00001 0.99999 0.75536 1.00000
Bi2 Bi 0.99999 0.00001 0.24464 1.00000
Bi3 Bi 0.32959 0.67041 0.07753 1.00000
Bi4 Bi 0.67004 0.32996 0.41715 1.00000
Bi5 Bi 0.32996 0.67004 0.58285 1.00000
Bi6 Bi 0.67041 0.32959 0.92247 1.00000
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