LiNdEr
Alexandria ALEXAlex-ID: agm005686733 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_616_spg12
NdEr2 Li Nd
2023-06-17 20:41:48.891327
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686733).
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 agm005686733
data_agm005686733
_cell_length_a 5.53289
_cell_length_b 5.53289
_cell_length_c 19.57508
_cell_angle_alpha 144.75710
_cell_angle_beta 144.75710
_cell_angle_gamma 59.47363
_cell_volume 175.29159
_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 0.83836 0.83836 0.49993 1.00000
Li2 Li 0.16164 0.16164 0.50007 1.00000
Nd1 Nd 0.16638 0.16638 0.00016 1.00000
Nd2 Nd 0.83362 0.83362 0.99984 1.00000
Er1 Er 0.03060 0.03060 0.75515 1.00000
Er2 Er 0.96940 0.96940 0.24485 1.00000
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