Tm5Sc2Pb5
Alexandria ALEXAlex-ID: agm003374464 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_59_spg12
Tm4Sc2Pb5 Tm5Pb3 Tm3Sc2Pb3
2022-02-08 21:46:49.474204
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374464).
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 agm003374464
data_agm003374464
_cell_length_a 4.69620
_cell_length_b 6.72275
_cell_length_c 12.79338
_cell_angle_alpha 114.38078
_cell_angle_beta 90.00000
_cell_angle_gamma 110.44309
_cell_volume 339.76095
_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 0.00000 0.50000 1.00000
Tm2 Tm 0.65788 0.31575 0.01242 1.00000
Tm3 Tm 0.67572 0.35144 0.29471 1.00000
Tm4 Tm 0.32428 0.64856 0.70529 1.00000
Tm5 Tm 0.34212 0.68425 0.98758 1.00000
Sc1 Sc 0.05578 0.11157 0.78885 1.00000
Sc2 Sc 0.94422 0.88843 0.21115 1.00000
Pb1 Pb 0.13575 0.27149 0.44403 1.00000
Pb2 Pb 0.69814 0.39627 0.78174 1.00000
Pb3 Pb 0.30186 0.60373 0.21826 1.00000
Pb4 Pb 0.86425 0.72851 0.55597 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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