Tb4Y10Th
Alexandria ALEXAlex-ID: agm005998755 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_62_spg87
Tb2Y7 Y2Th Tb5Y
2023-08-08 20:36:45.453315
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998755).
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 agm005998755
data_agm005998755
_cell_length_a 10.45246
_cell_length_b 8.67177
_cell_length_c 8.67177
_cell_angle_alpha 68.70237
_cell_angle_beta 52.93854
_cell_angle_gamma 52.93854
_cell_volume 500.52811
_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 0.33395 0.73333 0.59878 1.00000
Tb2 Tb 0.93272 0.40122 0.73333 1.00000
Tb3 Tb 0.06728 0.59878 0.26667 1.00000
Tb4 Tb 0.66605 0.26667 0.40122 1.00000
Y1 Y 0.25000 0.50000 0.50000 1.00000
Y2 Y 0.54796 0.32396 0.90354 1.00000
Y3 Y 0.12809 0.09646 0.32396 1.00000
Y4 Y 0.54851 0.90354 0.67604 1.00000
Y5 Y 0.77545 0.67604 0.09646 1.00000
Y6 Y 0.45204 0.67604 0.09646 1.00000
Y7 Y 0.75000 0.50000 0.50000 1.00000
Y8 Y 0.22455 0.32396 0.90354 1.00000
Y9 Y 0.45149 0.09646 0.32396 1.00000
Y10 Y 0.87191 0.90354 0.67604 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
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