Tl8BiPb4
Alexandria ALEXAlex-ID: agm097396261 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1223_spg38
Tl5Bi Tl2Bi TlPb
2025-06-19 19:57:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097396261).
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 agm097396261
data_agm097396261
_cell_length_a 5.07844
_cell_length_b 7.66520
_cell_length_c 12.48709
_cell_angle_alpha 119.41327
_cell_angle_beta 89.99480
_cell_angle_gamma 89.99912
_cell_volume 423.43100
_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 0.42304 0.05992 0.31766 1.00000
Tl2 Tl 0.42304 0.18604 0.75246 1.00000
Tl3 Tl 0.42310 0.77069 0.45937 1.00000
Tl4 Tl 0.42312 0.48846 0.60435 1.00000
Tl5 Tl 0.42299 0.34396 0.16968 1.00000
Tl6 Tl 0.92313 0.53646 0.82145 1.00000
Tl7 Tl 0.42313 0.61260 0.02981 1.00000
Tl8 Tl 0.92314 0.85903 0.69568 1.00000
Bi1 Bi 0.42298 0.90780 0.89917 1.00000
Pb1 Pb 0.92298 0.98496 0.09451 1.00000
Pb2 Pb 0.92313 0.12418 0.52584 1.00000
Pb3 Pb 0.92313 0.70907 0.24385 1.00000
Pb4 Pb 0.92310 0.41682 0.38616 1.00000
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