Li2YHfF8
Alexandria ALEXAlex-ID: agm002218293 · 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
ABC2D8_82_spg1
YHfF7 Li2HfF6 LiYF4 Hf
2018-07-19 18:36:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002218293).
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 agm002218293
data_agm002218293
_cell_length_a 5.34556
_cell_length_b 5.07493
_cell_length_c 6.54169
_cell_angle_alpha 115.34247
_cell_angle_beta 116.51833
_cell_angle_gamma 84.38853
_cell_volume 142.55401
_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
Y1 Y 0.99979 0.99981 0.99955 1.00000
Li1 Li 0.26699 0.76728 0.53421 1.00000
Li2 Li 0.47353 0.47335 0.94693 1.00000
Hf1 Hf 0.74646 0.24649 0.49294 1.00000
F1 F 0.59583 0.05422 0.67717 1.00000
F2 F 0.11885 0.23322 0.82509 1.00000
F3 F 0.01699 0.96094 0.34105 1.00000
F4 F 0.32410 0.38030 0.34116 1.00000
F5 F 0.08146 0.62295 0.67720 1.00000
F6 F 0.72445 0.29783 0.16973 1.00000
F7 F 0.70645 0.59183 0.82525 1.00000
F8 F 0.44515 0.87188 0.16974 1.00000
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