Tb4SmY3
Alexandria ALEXAlex-ID: agm012373147 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_729_spg10
Tb2Sm3Y4 Tb(SmY3)2 Tb5Y
2025-01-19 12:22:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012373147).
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}
}
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# CIF generated by HEAS from Alexandria entry agm012373147
data_agm012373147
_cell_length_a 12.10590
_cell_length_b 12.10590
_cell_length_c 6.20025
_cell_angle_alpha 75.15691
_cell_angle_beta 104.84309
_cell_angle_gamma 162.94201
_cell_volume 257.44912
_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 0.12563 0.87437 0.28989 1.00000
Tb2 Tb 0.87437 0.12563 0.71011 1.00000
Tb3 Tb 0.25038 0.74962 0.74928 1.00000
Tb4 Tb 0.74962 0.25038 0.25072 1.00000
Sm1 Sm 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.37445 0.62555 0.21051 1.00000
Y3 Y 0.62555 0.37445 0.78949 1.00000
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