Tb4Y5Th2
Alexandria ALEXAlex-ID: agm005641716 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_724_spg2
Tb2Y7 Y2Th Tb5Y
2023-06-22 21:16:33.848164
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641716).
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 agm005641716
data_agm005641716
_cell_length_a 3.55090
_cell_length_b 11.25536
_cell_length_c 8.90669
_cell_angle_alpha 90.72876
_cell_angle_beta 89.91550
_cell_angle_gamma 89.61011
_cell_volume 355.93364
_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 0.24152 0.20359 0.73073 1.00000
Tb2 Tb 0.21446 0.73829 0.91340 1.00000
Tb3 Tb 0.75848 0.79641 0.26927 1.00000
Tb4 Tb 0.78554 0.26171 0.08660 1.00000
Y1 Y 0.74174 0.47834 0.81811 1.00000
Y2 Y 0.25826 0.52166 0.18189 1.00000
Y3 Y 0.76429 0.91061 0.63976 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.23571 0.08939 0.36024 1.00000
Th1 Th 0.75014 0.36326 0.45643 1.00000
Th2 Th 0.24986 0.63674 0.54357 1.00000
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