Tb3Y
Alexandria ALEXAlex-ID: agm016282965 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_5434_spg55
Tb2Y7 Tb5Y
2025-02-03 10:39:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016282965).
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}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm016282965
data_agm016282965
_cell_length_a 7.16412
_cell_length_b 11.53432
_cell_length_c 12.38452
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1023.37347
_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 0.00000 0.99997 0.24934 1.00000
Tb2 Tb 0.00000 0.00003 0.75066 1.00000
Tb3 Tb 0.00000 0.50003 0.74934 1.00000
Tb4 Tb 0.00000 0.49997 0.25066 1.00000
Tb5 Tb 0.24944 0.75017 0.16681 1.00000
Tb6 Tb 0.24944 0.24983 0.83319 1.00000
Tb7 Tb 0.75056 0.74983 0.66681 1.00000
Tb8 Tb 0.75056 0.25017 0.33319 1.00000
Tb9 Tb 0.75056 0.24983 0.83319 1.00000
Tb10 Tb 0.75056 0.75017 0.16681 1.00000
Tb11 Tb 0.24944 0.25017 0.33319 1.00000
Tb12 Tb 0.24944 0.74983 0.66681 1.00000
Tb13 Tb 0.00000 0.74938 0.41629 1.00000
Tb14 Tb 0.00000 0.25062 0.58371 1.00000
Tb15 Tb 0.00000 0.75062 0.91629 1.00000
Tb16 Tb 0.00000 0.24938 0.08371 1.00000
Tb17 Tb 0.50000 0.74936 0.41739 1.00000
Tb18 Tb 0.50000 0.25064 0.58261 1.00000
Tb19 Tb 0.50000 0.75064 0.91739 1.00000
Tb20 Tb 0.50000 0.24936 0.08261 1.00000
Tb21 Tb 0.24937 0.50000 0.50000 1.00000
Tb22 Tb 0.75063 0.00000 0.00000 1.00000
Tb23 Tb 0.75063 0.50000 0.50000 1.00000
Tb24 Tb 0.24937 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.49988 0.25044 1.00000
Y2 Y 0.50000 0.50012 0.74956 1.00000
Y3 Y 0.50000 0.00012 0.75044 1.00000
Y4 Y 0.50000 0.99988 0.24956 1.00000
Y5 Y 0.24957 0.50000 0.00000 1.00000
Y6 Y 0.75043 0.00000 0.50000 1.00000
Y7 Y 0.75043 0.50000 0.00000 1.00000
Y8 Y 0.24957 0.00000 0.50000 1.00000
