Li4Nd8Sm
Alexandria ALEXAlex-ID: agm097908616 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1758_spg6
Nd3Sm5 Li Nd
2025-06-16 12:53:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097908616).
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 agm097908616
data_agm097908616
_cell_length_a 3.56655
_cell_length_b 11.36680
_cell_length_c 12.48429
_cell_angle_alpha 53.48145
_cell_angle_beta 81.87289
_cell_angle_gamma 90.05798
_cell_volume 400.35057
_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 0.00531 0.86181 0.21227 1.00000
Li2 Li 0.08424 0.42732 0.06591 1.00000
Li3 Li 0.97218 0.59204 0.30175 1.00000
Li4 Li 0.88125 0.97484 0.46773 1.00000
Nd1 Nd 0.52632 0.12729 0.17674 1.00000
Nd2 Nd 0.60049 0.69232 0.03816 1.00000
Nd3 Nd 0.72528 0.65826 0.77700 1.00000
Nd4 Nd 0.81169 0.32837 0.60245 1.00000
Nd5 Nd 0.36482 0.68080 0.49899 1.00000
Nd6 Nd 0.44289 0.30128 0.34910 1.00000
Nd7 Nd 0.19111 0.34581 0.84448 1.00000
Nd8 Nd 0.25525 0.98040 0.71838 1.00000
Sm1 Sm 0.63918 0.02945 0.94705 1.00000
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