Tl(Ag2Bi)4
Alexandria ALEXAlex-ID: agm097587149 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1199_spg1
Bi Ag Tl2Bi
2025-06-01 22:19:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097587149).
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 agm097587149
data_agm097587149
_cell_length_a 4.62566
_cell_length_b 9.77022
_cell_length_c 8.69544
_cell_angle_alpha 123.88056
_cell_angle_beta 105.62598
_cell_angle_gamma 89.95469
_cell_volume 308.66211
_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 0.28620 0.17930 0.95799 1.00000
Ag1 Ag 0.48234 0.18089 0.34836 1.00000
Ag2 Ag 0.66689 0.21271 0.71778 1.00000
Ag3 Ag 0.48800 0.53055 0.36076 1.00000
Ag4 Ag 0.67596 0.52867 0.73669 1.00000
Ag5 Ag 0.94186 0.31811 0.26830 1.00000
Ag6 Ag 0.11877 0.33039 0.62228 1.00000
Ag7 Ag 0.31896 0.69221 0.02414 1.00000
Ag8 Ag 0.63781 0.89611 0.66036 1.00000
Bi1 Bi 0.84385 0.94175 0.06834 1.00000
Bi2 Bi 0.04068 0.96411 0.46757 1.00000
Bi3 Bi 0.86410 0.54008 0.11510 1.00000
Bi4 Bi 0.13458 0.68514 0.65233 1.00000
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