TmSc3Pb2
Alexandria ALEXAlex-ID: agm005890593 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_129_spg115
Tm3Sc2Pb3 Sc5Pb3 Sc
2023-08-24 19:31:00.598976
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890593).
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 agm005890593
data_agm005890593
_cell_length_a 4.36431
_cell_length_b 4.36431
_cell_length_c 8.07049
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 153.72051
_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
Sc1 Sc 0.50000 0.00000 0.33522 1.00000
Sc2 Sc 0.00000 0.50000 0.66478 1.00000
Sc3 Sc 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.50000 0.00000 0.70972 1.00000
Pb2 Pb 0.00000 0.50000 0.29028 1.00000
