Tm2Pb3S7
Alexandria ALEXAlex-ID: agm101224829 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_286_spg1
PbS13 Tm2S3 PbS
2025-05-17 15:50:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101224829).
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 agm101224829
data_agm101224829
_cell_length_a 6.99782
_cell_length_b 7.11317
_cell_length_c 8.34336
_cell_angle_alpha 81.63392
_cell_angle_beta 66.98606
_cell_angle_gamma 60.32698
_cell_volume 331.52403
_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 0.61358 0.70415 0.99753 1.00000
Tm2 Tm 0.26495 0.33956 0.01417 1.00000
Pb1 Pb 0.98024 0.98854 0.98157 1.00000
Pb2 Pb 0.75062 0.72287 0.42116 1.00000
Pb3 Pb 0.40649 0.34930 0.49707 1.00000
S1 S 0.78123 0.32714 0.56566 1.00000
S2 S 0.82742 0.40197 0.19437 1.00000
S3 S 0.49929 0.02592 0.20021 1.00000
S4 S 0.21987 0.64661 0.20609 1.00000
S5 S 0.06082 0.62889 0.79906 1.00000
S6 S 0.67447 0.35743 0.83478 1.00000
S7 S 0.42103 0.00763 0.78833 1.00000
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