LiRh2N3
Alexandria ALEXAlex-ID: agm005240155 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_42_spg36
LiN3 Rh
2023-04-21 15:42:53.145141
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240155).
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 agm005240155
data_agm005240155
_cell_length_a 5.69571
_cell_length_b 5.69571
_cell_length_c 5.38945
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 121.50005
_cell_volume 149.07511
_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 0.67722 0.67722 0.99520 1.00000
Li2 Li 0.32278 0.32278 0.49520 1.00000
Rh1 Rh 0.01336 0.34148 0.99146 1.00000
Rh2 Rh 0.34148 0.01336 0.99146 1.00000
Rh3 Rh 0.98664 0.65852 0.49146 1.00000
Rh4 Rh 0.65852 0.98664 0.49146 1.00000
N1 N 0.97676 0.33146 0.35751 1.00000
N2 N 0.33146 0.97676 0.35751 1.00000
N3 N 0.02324 0.66854 0.85751 1.00000
N4 N 0.66854 0.02324 0.85751 1.00000
N5 N 0.68395 0.68395 0.39486 1.00000
N6 N 0.31605 0.31605 0.89486 1.00000
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