Tb2Sm2Y5
Alexandria ALEXAlex-ID: agm034136241 · 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
A2B2C5_207_spg12
Tb2Sm3Y4 Tb(SmY3)2 Tb5Y
2024-12-06 10:52:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034136241).
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 agm034136241
data_agm034136241
_cell_length_a 9.55888
_cell_length_b 9.55888
_cell_length_c 9.59649
_cell_angle_alpha 64.75034
_cell_angle_beta 115.24966
_cell_angle_gamma 158.23663
_cell_volume 292.84087
_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 0.85184 0.14816 0.83447 1.00000
Tb2 Tb 0.14816 0.85184 0.16553 1.00000
Sm1 Sm 0.33359 0.66641 0.50158 1.00000
Sm2 Sm 0.66641 0.33359 0.49842 1.00000
Y1 Y 0.81440 0.18560 0.16576 1.00000
Y2 Y 0.18560 0.81440 0.83424 1.00000
Y3 Y 0.51902 0.48098 0.83522 1.00000
Y4 Y 0.48098 0.51902 0.16478 1.00000
Y5 Y 0.00000 0.00000 0.50000 1.00000
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