CdInF3
Alexandria ALEXAlex-ID: agm005757735 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_1990_spg2
InF2 Cd CdF2
2023-07-03 20:51:03.752137
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757735).
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 agm005757735
data_agm005757735
_cell_length_a 3.70708
_cell_length_b 6.92356
_cell_length_c 8.53621
_cell_angle_alpha 59.12219
_cell_angle_beta 77.45900
_cell_angle_gamma 74.47169
_cell_volume 180.33029
_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
Cd1 Cd 0.37585 0.32393 0.92437 1.00000
Cd2 Cd 0.62415 0.67607 0.07563 1.00000
In1 In 0.12865 0.13276 0.60994 1.00000
In2 In 0.87135 0.86724 0.39006 1.00000
F1 F 0.93164 0.40041 0.73631 1.00000
F2 F 0.06836 0.59959 0.26369 1.00000
F3 F 0.56519 0.04554 0.82408 1.00000
F4 F 0.43481 0.95446 0.17592 1.00000
F5 F 0.78900 0.31502 0.10699 1.00000
F6 F 0.21100 0.68498 0.89301 1.00000
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