TbCd2F6
Alexandria ALEXAlex-ID: agm097203580 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3073_spg38
CdF2 Cd TbF3
2025-04-06 22:08:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097203580).
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 agm097203580
data_agm097203580
_cell_length_a 4.42291
_cell_length_b 4.42737
_cell_length_c 10.54872
_cell_angle_alpha 81.60030
_cell_angle_beta 97.29204
_cell_angle_gamma 89.40603
_cell_volume 202.60694
_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 0.43901 0.55403 0.25015 1.00000
Cd1 Cd 0.22612 0.77831 0.83323 1.00000
Cd2 Cd 0.67523 0.33701 0.66594 1.00000
F1 F 0.36577 0.63615 0.03813 1.00000
F2 F 0.51548 0.47187 0.46215 1.00000
F3 F 0.93933 0.55398 0.25063 1.00000
F4 F 0.20021 0.30646 0.75076 1.00000
F5 F 0.43791 0.05408 0.25006 1.00000
F6 F 0.70093 0.80810 0.74894 1.00000
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