Ac8SmY6
Alexandria ALEXAlex-ID: agm006014387 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_181_spg147
Sm2Y7 SmY8 Ac
2023-08-31 19:34:32.803877
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014387).
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 agm006014387
data_agm006014387
_cell_length_a 7.17124
_cell_length_b 10.01653
_cell_length_c 10.01653
_cell_angle_alpha 120.00001
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00000
_cell_volume 623.10186
_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
Ac1 Ac 0.88482 0.95059 0.30731 1.00000
Ac2 Ac 0.88482 0.69269 0.64328 1.00000
Ac3 Ac 0.88482 0.35672 0.04941 1.00000
Ac4 Ac 0.11518 0.04941 0.69269 1.00000
Ac5 Ac 0.11518 0.30731 0.35672 1.00000
Ac6 Ac 0.11518 0.64328 0.95059 1.00000
Ac7 Ac 0.72737 0.33333 0.66667 1.00000
Ac8 Ac 0.27263 0.66667 0.33333 1.00000
Sm1 Sm 0.50000 0.00000 0.00000 1.00000
Y1 Y 0.59772 0.67047 0.03590 1.00000
Y2 Y 0.59772 0.96410 0.63458 1.00000
Y3 Y 0.59772 0.36542 0.32953 1.00000
Y4 Y 0.40228 0.32953 0.96410 1.00000
Y5 Y 0.40228 0.03590 0.36542 1.00000
Y6 Y 0.40228 0.63458 0.67047 1.00000
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