TbSm4Y3
Alexandria ALEXAlex-ID: agm014684205 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_345_spg12
Tb(SmY3)2 TbSm4Y SmY2
2025-01-25 09:39:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014684205).
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
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# CIF generated by HEAS from Alexandria entry agm014684205
data_agm014684205
_cell_length_a 12.18833
_cell_length_b 12.18833
_cell_length_c 6.24864
_cell_angle_alpha 75.14558
_cell_angle_beta 104.85442
_cell_angle_gamma 162.93260
_cell_volume 263.13023
_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 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.87564 0.12436 0.54011 1.00000
Sm2 Sm 0.12436 0.87564 0.45989 1.00000
Sm3 Sm 0.75012 0.24988 0.74951 1.00000
Sm4 Sm 0.24988 0.75012 0.25049 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.62454 0.37546 0.96004 1.00000
Y3 Y 0.37546 0.62454 0.03996 1.00000
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