LiAc2N
Alexandria ALEXAlex-ID: agm005688221 · 空间群: Cccm (#66)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_8984_spg66
LiAcN Ac
2023-07-12 05:31:34.272111
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688221).
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 agm005688221
data_agm005688221
_cell_length_a 6.16461
_cell_length_b 6.27044
_cell_length_c 7.75894
_cell_angle_alpha 90.00211
_cell_angle_beta 113.32940
_cell_angle_gamma 89.99983
_cell_volume 275.40003
_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 0.86308 0.12127 0.95344 1.00000
Li2 Li 0.36308 0.62125 0.95365 1.00000
Ac1 Ac 0.23998 0.12127 0.63741 1.00000
Ac2 Ac 0.05649 0.62122 0.27000 1.00000
Ac3 Ac 0.66947 0.62126 0.63719 1.00000
Ac4 Ac 0.48604 0.12122 0.26987 1.00000
N1 N 0.36295 0.87126 0.45361 1.00000
N2 N 0.36297 0.37123 0.45361 1.00000
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