Tl3CoBi5
Alexandria ALEXAlex-ID: agm072359151 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1071_spg8
Bi Co Tl2Bi
2024-09-24 07:25:24.819304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072359151).
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 agm072359151
data_agm072359151
_cell_length_a 3.42369
_cell_length_b 6.80131
_cell_length_c 13.84306
_cell_angle_alpha 119.28567
_cell_angle_beta 83.15309
_cell_angle_gamma 104.57166
_cell_volume 272.09940
_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
Tl1 Tl 0.66739 0.92592 0.38611 1.00000
Tl2 Tl 0.02085 0.81756 0.59596 1.00000
Tl3 Tl 0.23655 0.36851 0.63305 1.00000
Co1 Co 0.85554 0.95611 0.01640 1.00000
Bi1 Bi 0.40188 0.37167 0.37409 1.00000
Bi2 Bi 0.48281 0.31810 0.12528 1.00000
Bi3 Bi 0.42228 0.93484 0.86027 1.00000
Bi4 Bi 0.67638 0.48246 0.88056 1.00000
Bi5 Bi 0.23633 0.82483 0.12828 1.00000
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