CsTmBiCl6
Alexandria ALEXAlex-ID: agm005100417 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
Cs3Bi2Cl9 TmCl3 Bi
2022-08-12 14:05:50.820806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005100417).
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 agm005100417
data_agm005100417
_cell_length_a 7.28022
_cell_length_b 7.22367
_cell_length_c 7.50134
_cell_angle_alpha 87.71923
_cell_angle_beta 92.10347
_cell_angle_gamma 66.71966
_cell_volume 361.49723
_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
Cs1 Cs 0.01582 0.01722 0.99855 1.00000
Tm1 Tm 0.67625 0.67566 0.50065 1.00000
Bi1 Bi 0.32790 0.33017 0.49812 1.00000
Cl1 Cl 0.95951 0.39736 0.32431 1.00000
Cl2 Cl 0.39612 0.95989 0.67514 1.00000
Cl3 Cl 0.64131 0.36605 0.68860 1.00000
Cl4 Cl 0.93899 0.66666 0.73340 1.00000
Cl5 Cl 0.37039 0.64353 0.30796 1.00000
Cl6 Cl 0.67347 0.94351 0.27318 1.00000
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