Tm4ThPb5
Alexandria ALEXAlex-ID: agm003661049 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_3_spg79
TmTh3Pb5 Tm5Pb4 ThPb2
2022-04-08 06:27:35.362681
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661049).
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 agm003661049
data_agm003661049
_cell_length_a 6.29902
_cell_length_b 7.69212
_cell_length_c 7.69212
_cell_angle_alpha 80.34901
_cell_angle_beta 65.82996
_cell_angle_gamma 65.82996
_cell_volume 310.22259
_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 0.39627 0.40032 0.80876 1.00000
Tm2 Tm 0.79659 0.80876 0.59968 1.00000
Tm3 Tm 0.20503 0.19124 0.40032 1.00000
Tm4 Tm 0.60535 0.59968 0.19124 1.00000
Th1 Th 0.00200 0.00000 0.00000 1.00000
Pb1 Pb 0.90238 0.40759 0.78919 1.00000
Pb2 Pb 0.30997 0.78919 0.59241 1.00000
Pb3 Pb 0.69157 0.21081 0.40759 1.00000
Pb4 Pb 0.09916 0.59241 0.21081 1.00000
Pb5 Pb 0.50198 1.00000 1.00000 1.00000
Get direct link