Tm3Pb2Se
Alexandria ALEXAlex-ID: agm005646514 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
Tm3Se4 Tm5Pb3Se Pb
2023-08-24 21:37:05.269104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646514).
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 agm005646514
data_agm005646514
_cell_length_a 3.90576
_cell_length_b 6.13671
_cell_length_c 7.82706
_cell_angle_alpha 113.08010
_cell_angle_beta 104.44793
_cell_angle_gamma 90.00000
_cell_volume 166.11818
_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 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.15186 0.15188 0.30376 1.00000
Tm3 Tm 0.84814 0.84812 0.69624 1.00000
Pb1 Pb 0.17096 0.67095 0.34190 1.00000
Pb2 Pb 0.82904 0.32905 0.65810 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
