LiEuNb2O6F
Alexandria ALEXAlex-ID: agm002159485 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2E6_0_spg119
EuNb2O6 LiF
2018-12-28 17:22:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002159485).
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
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# CIF generated by HEAS from Alexandria entry agm002159485
data_agm002159485
_cell_length_a 3.88306
_cell_length_b 3.88306
_cell_length_c 10.61610
_cell_angle_alpha 100.52522
_cell_angle_beta 100.52561
_cell_angle_gamma 90.00000
_cell_volume 154.63761
_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
Eu1 Eu 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.38258 0.38275 0.76500 1.00000
Nb2 Nb 0.61726 0.61741 0.23500 1.00000
Li1 Li 0.75071 0.24929 0.50000 1.00000
O1 O 0.29489 0.29477 0.58931 1.00000
O2 O 0.90832 0.40855 0.81652 1.00000
O3 O 0.59145 0.09168 0.18348 1.00000
O4 O 0.70523 0.70511 0.41068 1.00000
O5 O 0.41032 0.91052 0.82051 1.00000
O6 O 0.08948 0.58968 0.17949 1.00000
F1 F 0.50000 0.50000 0.00000 1.00000
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