Nd3SmAg4
Alexandria ALEXAlex-ID: agm014752065 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_344_spg139
Nd2SmAg3 NdAg
2024-11-09 09:18:30.455422
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014752065).
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 agm014752065
data_agm014752065
_cell_length_a 8.35673
_cell_length_b 8.35673
_cell_length_c 8.35673
_cell_angle_alpha 142.95224
_cell_angle_beta 142.95224
_cell_angle_gamma 53.39698
_cell_volume 210.49455
_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
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.24863 0.24863 0.00000 1.00000
Nd3 Nd 0.75137 0.75137 0.00000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.87697 0.37697 0.50000 1.00000
Ag2 Ag 0.12303 0.62303 0.50000 1.00000
Ag3 Ag 0.62303 0.12303 0.50000 1.00000
Ag4 Ag 0.37697 0.87697 0.50000 1.00000
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