Tm5Bi6Pb
Alexandria ALEXAlex-ID: agm006129334 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
TmBi Pb Bi
2023-09-11 00:40:08.460251
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129334).
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 agm006129334
data_agm006129334
_cell_length_a 7.77410
_cell_length_b 7.77410
_cell_length_c 7.78035
_cell_angle_alpha 99.63945
_cell_angle_beta 99.63947
_cell_angle_gamma 120.07543
_cell_volume 383.35860
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.83961 0.16039 0.50000 1.00000
Tm2 Tm 0.66970 0.33030 0.00000 1.00000
Tm3 Tm 0.50000 0.50000 0.50000 1.00000
Tm4 Tm 0.33030 0.66970 1.00000 1.00000
Tm5 Tm 0.16039 0.83961 0.50000 1.00000
Bi1 Bi 0.43065 0.08688 0.25717 1.00000
Bi2 Bi 0.91312 0.56935 0.74282 1.00000
Bi3 Bi 0.26136 0.26136 0.74770 1.00000
Bi4 Bi 0.73864 0.73864 0.25230 1.00000
Bi5 Bi 0.08688 0.43065 0.25717 1.00000
Bi6 Bi 0.56935 0.91312 0.74282 1.00000
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