SmY5Ag
Alexandria ALEXAlex-ID: agm003759082 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_342_spg15
Sm2Y7 SmY8 YAg
2022-04-19 21:27:58.387934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003759082).
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 agm003759082
data_agm003759082
_cell_length_a 6.71525
_cell_length_b 6.71525
_cell_length_c 12.58861
_cell_angle_alpha 68.49328
_cell_angle_beta 68.49328
_cell_angle_gamma 57.42232
_cell_volume 434.56481
_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 0.76932 0.23068 0.25000 1.00000
Sm2 Sm 0.23068 0.76932 0.75000 1.00000
Y1 Y 0.78247 0.74890 0.18429 1.00000
Y2 Y 0.32253 0.35189 0.52852 1.00000
Y3 Y 0.74890 0.78247 0.68429 1.00000
Y4 Y 0.24791 0.75209 0.25000 1.00000
Y5 Y 0.64811 0.67747 0.97148 1.00000
Y6 Y 0.35189 0.32253 0.02852 1.00000
Y7 Y 0.75209 0.24791 0.75000 1.00000
Y8 Y 0.25110 0.21753 0.31571 1.00000
Y9 Y 0.67747 0.64811 0.47148 1.00000
Y10 Y 0.21753 0.25110 0.81571 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.50000 1.00000
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