Ce2ThF11
Alexandria ALEXAlex-ID: agm005743418 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C11_1_spg72
Ce2F7 ThF4
2023-07-01 20:36:15.712754
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005743418).
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 agm005743418
data_agm005743418
_cell_length_a 8.43565
_cell_length_b 8.89119
_cell_length_c 8.89119
_cell_angle_alpha 73.70305
_cell_angle_beta 61.68087
_cell_angle_gamma 61.68086
_cell_volume 515.46454
_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
Ce1 Ce 0.64260 0.68113 0.31887 1.00000
Ce2 Ce 0.35740 0.31887 0.68113 1.00000
Ce3 Ce 0.85740 0.18113 0.81887 1.00000
Ce4 Ce 0.14260 0.81887 0.18113 1.00000
Th1 Th 0.75000 0.75000 0.75000 1.00000
Th2 Th 0.25000 0.25000 0.25000 1.00000
F1 F 0.64681 0.70813 0.56670 1.00000
F2 F 0.35319 0.29187 0.43330 1.00000
F3 F 0.07835 0.56670 0.70813 1.00000
F4 F 0.85319 0.93330 0.79187 1.00000
F5 F 0.92165 0.43330 0.29187 1.00000
F6 F 0.14681 0.06670 0.20813 1.00000
F7 F 0.42165 0.79187 0.93330 1.00000
F8 F 0.57835 0.20813 0.06670 1.00000
F9 F 0.50000 0.50000 0.50000 1.00000
F10 F 0.00000 0.00000 0.00000 1.00000
F11 F 0.87149 0.78165 0.21835 1.00000
F12 F 0.12851 0.21835 0.78165 1.00000
F13 F 0.62851 0.28165 0.71835 1.00000
F14 F 0.37149 0.71835 0.28165 1.00000
F15 F 0.45019 0.97019 0.31497 1.00000
F16 F 0.54981 0.02981 0.68503 1.00000
F17 F 0.26465 0.31497 0.97019 1.00000
F18 F 0.04981 0.18503 0.52981 1.00000
F19 F 0.73535 0.68503 0.02981 1.00000
F20 F 0.95019 0.81497 0.47019 1.00000
F21 F 0.23535 0.52981 0.18503 1.00000
F22 F 0.76465 0.47019 0.81497 1.00000
