SmY5Tm7
Alexandria ALEXAlex-ID: agm006084591 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_7_spg44
Sm2Y SmY2 YTm2
2023-08-08 02:59:54.813403
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006084591).
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 agm006084591
data_agm006084591
_cell_length_a 6.72331
_cell_length_b 8.62421
_cell_length_c 8.62421
_cell_angle_alpha 79.03024
_cell_angle_beta 67.05840
_cell_angle_gamma 67.05841
_cell_volume 423.64771
_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 0.97003 0.02997 0.02997 1.00000
Y1 Y 0.53629 0.00767 0.45697 1.00000
Y2 Y 0.99907 0.00767 0.45697 1.00000
Y3 Y 0.53629 0.45697 0.00767 1.00000
Y4 Y 0.99907 0.45697 0.00767 1.00000
Y5 Y 0.76921 0.73079 0.73079 1.00000
Tm1 Tm 0.57446 0.42554 0.42554 1.00000
Tm2 Tm 0.27155 0.72845 0.72845 1.00000
Tm3 Tm 0.01998 0.31071 0.64933 1.00000
Tm4 Tm 0.01998 0.64933 0.31071 1.00000
Tm5 Tm 0.26912 0.23088 0.23088 1.00000
Tm6 Tm 0.51747 0.81167 0.15339 1.00000
Tm7 Tm 0.51747 0.15339 0.81167 1.00000
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