Y8Sn6Cl
Alexandria ALEXAlex-ID: agm072852850 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_45_spg148
Y5Sn3Cl Y11Sn10 YCl3
2024-10-05 19:54:41.358310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072852850).
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 agm072852850
data_agm072852850
_cell_length_a 8.07726
_cell_length_b 8.07845
_cell_length_c 8.08806
_cell_angle_alpha 69.02557
_cell_angle_beta 69.00480
_cell_angle_gamma 69.06617
_cell_volume 443.91162
_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
Y1 Y 0.66666 0.66616 0.66642 1.00000
Y2 Y 0.33334 0.33384 0.33358 1.00000
Y3 Y 0.90455 0.17688 0.64777 1.00000
Y4 Y 0.17707 0.64743 0.90506 1.00000
Y5 Y 0.64747 0.90475 0.17723 1.00000
Y6 Y 0.09545 0.82312 0.35223 1.00000
Y7 Y 0.82293 0.35257 0.09494 1.00000
Y8 Y 0.35253 0.09525 0.82277 1.00000
Sn1 Sn 0.31010 0.92431 0.53490 1.00000
Sn2 Sn 0.92413 0.53452 0.31011 1.00000
Sn3 Sn 0.53445 0.30972 0.92489 1.00000
Sn4 Sn 0.68990 0.07569 0.46510 1.00000
Sn5 Sn 0.07587 0.46548 0.68989 1.00000
Sn6 Sn 0.46555 0.69028 0.07511 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
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