AcSmY5
Alexandria ALEXAlex-ID: agm005756243 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_381_spg15
Sm2Y7 SmY8 Ac
2023-07-15 09:03:21.954980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756243).
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 agm005756243
data_agm005756243
_cell_length_a 7.08653
_cell_length_b 8.69018
_cell_length_c 8.69018
_cell_angle_alpha 98.91932
_cell_angle_beta 102.24865
_cell_angle_gamma 102.24865
_cell_volume 499.74210
_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 0.75000 0.34604 0.15396 1.00000
Ac2 Ac 0.25000 0.65396 0.84604 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.53206 0.89779 0.65351 1.00000
Y2 Y 0.63983 0.77711 0.23408 1.00000
Y3 Y 0.03206 0.15351 0.39779 1.00000
Y4 Y 0.75000 0.61124 0.88876 1.00000
Y5 Y 0.86017 0.26592 0.72289 1.00000
Y6 Y 0.13983 0.73408 0.27711 1.00000
Y7 Y 0.25000 0.38876 0.11124 1.00000
Y8 Y 0.96794 0.84649 0.60221 1.00000
Y9 Y 0.36017 0.22289 0.76592 1.00000
Y10 Y 0.46794 0.10221 0.34649 1.00000
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