Sn6Ir2Pb
Alexandria ALEXAlex-ID: agm097785252 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6264_spg38
Sn4Ir Sn2Ir Pb
2025-04-07 06:38:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097785252).
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
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# CIF generated by HEAS from Alexandria entry agm097785252
data_agm097785252
_cell_length_a 4.28073
_cell_length_b 5.05670
_cell_length_c 10.85064
_cell_angle_alpha 81.51084
_cell_angle_beta 90.01245
_cell_angle_gamma 90.00914
_cell_volume 232.30315
_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
Sn1 Sn 0.94398 0.39586 0.97191 1.00000
Sn2 Sn 0.44471 0.75310 0.60557 1.00000
Sn3 Sn 0.44455 0.09635 0.32309 1.00000
Sn4 Sn 0.44488 0.95270 0.88977 1.00000
Sn5 Sn 0.94410 0.55992 0.37878 1.00000
Sn6 Sn 0.94520 0.29605 0.67716 1.00000
Ir1 Ir 0.94470 0.76967 0.76472 1.00000
Ir2 Ir 0.94462 0.03006 0.48242 1.00000
Pb1 Pb 0.44325 0.64628 0.15659 1.00000
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