Sm8Y6Tl
Alexandria ALEXAlex-ID: agm006013129 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_181_spg147
Sm2Y SmY2 Y5Tl3
2023-08-31 19:19:43.252209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006013129).
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 agm006013129
data_agm006013129
_cell_length_a 6.48238
_cell_length_b 9.41767
_cell_length_c 9.41769
_cell_angle_alpha 119.99991
_cell_angle_beta 89.99986
_cell_angle_gamma 90.00000
_cell_volume 497.91322
_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
Sm1 Sm 0.81835 0.04236 0.26960 1.00000
Sm2 Sm 0.81835 0.73040 0.77276 1.00000
Sm3 Sm 0.81835 0.22724 0.95764 1.00000
Sm4 Sm 0.18165 0.95764 0.73040 1.00000
Sm5 Sm 0.18165 0.26960 0.22724 1.00000
Sm6 Sm 0.18165 0.77276 0.04236 1.00000
Sm7 Sm 0.82688 0.33333 0.66667 1.00000
Sm8 Sm 0.17313 0.66667 0.33333 1.00000
Y1 Y 0.67280 0.64594 0.09607 1.00000
Y2 Y 0.67280 0.90393 0.54988 1.00000
Y3 Y 0.67280 0.45013 0.35406 1.00000
Y4 Y 0.32720 0.35406 0.90393 1.00000
Y5 Y 0.32720 0.09607 0.45012 1.00000
Y6 Y 0.32720 0.54987 0.64594 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
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