Tm2InPb6
Alexandria ALEXAlex-ID: agm005676152 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1803_spg12
TmPb2 TmIn3 Pb
2023-07-08 06:11:47.451303
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676152).
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 agm005676152
data_agm005676152
_cell_length_a 3.60697
_cell_length_b 8.14860
_cell_length_c 9.25304
_cell_angle_alpha 93.81990
_cell_angle_beta 101.23933
_cell_angle_gamma 90.00000
_cell_volume 266.13154
_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
Tm1 Tm 0.93409 0.19928 0.86819 1.00000
Tm2 Tm 0.06591 0.80072 0.13181 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.41564 0.86272 0.83127 1.00000
Pb2 Pb 0.58436 0.13728 0.16873 1.00000
Pb3 Pb 0.72196 0.83117 0.44392 1.00000
Pb4 Pb 0.16194 0.46930 0.32387 1.00000
Pb5 Pb 0.27804 0.16883 0.55608 1.00000
Pb6 Pb 0.83806 0.53070 0.67613 1.00000
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