Tb2CeTh6
Alexandria ALEXAlex-ID: agm005772491 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2025_spg15
Tb2Th3 CeTh3
2023-07-06 17:50:48.893466
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772491).
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 agm005772491
data_agm005772491
_cell_length_a 6.61328
_cell_length_b 9.76304
_cell_length_c 9.76305
_cell_angle_alpha 68.79888
_cell_angle_beta 81.60701
_cell_angle_gamma 81.60701
_cell_volume 578.42551
_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 0.11997 0.71920 0.64154 1.00000
Tb2 Tb 0.38003 0.35846 0.28080 1.00000
Tb3 Tb 0.88003 0.28080 0.35846 1.00000
Tb4 Tb 0.61997 0.64154 0.71920 1.00000
Ce1 Ce 0.25000 0.09744 0.90256 1.00000
Ce2 Ce 0.75000 0.90256 0.09744 1.00000
Th1 Th 0.49626 0.66101 0.35934 1.00000
Th2 Th 0.00374 0.64066 0.33899 1.00000
Th3 Th 0.50374 0.33899 0.64066 1.00000
Th4 Th 0.99626 0.35934 0.66101 1.00000
Th5 Th 0.70575 0.95290 0.40585 1.00000
Th6 Th 0.79425 0.59415 0.04710 1.00000
Th7 Th 0.29425 0.04710 0.59415 1.00000
Th8 Th 0.20575 0.40585 0.95290 1.00000
Th9 Th 0.28365 0.76493 0.99042 1.00000
Th10 Th 0.21635 0.00958 0.23507 1.00000
Th11 Th 0.71635 0.23507 0.00958 1.00000
Th12 Th 0.78365 0.99042 0.76493 1.00000
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