Tb3SmY7
Alexandria ALEXAlex-ID: agm005973752 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_250_spg10
Tb2SmY6 Tb2Y7 Tb5Y
2023-08-13 00:20:50.885123
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005973752).
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 agm005973752
data_agm005973752
_cell_length_a 5.56439
_cell_length_b 10.02758
_cell_length_c 8.88994
_cell_angle_alpha 105.20440
_cell_angle_beta 128.74058
_cell_angle_gamma 90.00596
_cell_volume 364.36290
_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
Tb1 Tb 0.27853 0.99772 0.77876 1.00000
Tb2 Tb 0.00000 0.50000 0.00000 1.00000
Tb3 Tb 0.72147 0.00228 0.22124 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.92080 0.83049 0.92067 1.00000
Y2 Y 0.85306 0.71155 0.35315 1.00000
Y3 Y 0.67966 0.36106 0.17977 1.00000
Y4 Y 0.32034 0.63894 0.82023 1.00000
Y5 Y 0.50000 0.00000 0.50000 1.00000
Y6 Y 0.14694 0.28845 0.64685 1.00000
Y7 Y 0.07920 0.16951 0.07933 1.00000
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