Li3U3Ni8
Alexandria ALEXAlex-ID: agm008669162 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_28_spg71
UNi UNi5 Li
2024-06-24 11:51:17.620176
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008669162).
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 agm008669162
data_agm008669162
_cell_length_a 7.95338
_cell_length_b 7.95338
_cell_length_c 7.95338
_cell_angle_alpha 151.66198
_cell_angle_beta 119.77540
_cell_angle_gamma 67.86662
_cell_volume 205.04639
_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
Li1 Li 0.00000 0.50000 0.50000 1.00000
Li2 Li 0.82195 0.00000 0.82195 1.00000
Li3 Li 0.17805 0.00000 0.17805 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
U2 U 0.75809 0.75809 0.00000 1.00000
U3 U 0.24191 0.24191 0.00000 1.00000
Ni1 Ni 0.31468 0.64784 0.66684 1.00000
Ni2 Ni 0.68532 0.35216 0.33316 1.00000
Ni3 Ni 0.98100 0.64784 0.33316 1.00000
Ni4 Ni 0.01900 0.35216 0.66684 1.00000
Ni5 Ni 0.49843 0.84908 0.64934 1.00000
Ni6 Ni 0.50157 0.15092 0.35066 1.00000
Ni7 Ni 0.19974 0.84908 0.35066 1.00000
Ni8 Ni 0.80026 0.15092 0.64934 1.00000
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