Nd3Mg3Ag8
Alexandria ALEXAlex-ID: agm003376355 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_0_spg71
NdMgAg2 NdAg2 Nd(MgAg2)2
2022-02-09 00:04:29.396796
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003376355).
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 agm003376355
data_agm003376355
_cell_length_a 4.72761
_cell_length_b 8.71892
_cell_length_c 8.71892
_cell_angle_alpha 68.48610
_cell_angle_beta 74.26955
_cell_angle_gamma 74.26955
_cell_volume 315.85891
_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 0.50000 1.00000
Nd2 Nd 0.79059 0.20941 0.20941 1.00000
Nd3 Nd 0.20941 0.79059 0.79059 1.00000
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Mg2 Mg 0.00000 0.79986 0.20014 1.00000
Mg3 Mg 0.00000 0.20014 0.79986 1.00000
Ag1 Ag 0.62950 0.08350 0.65750 1.00000
Ag2 Ag 0.37050 0.91650 0.34250 1.00000
Ag3 Ag 0.62950 0.65750 0.08350 1.00000
Ag4 Ag 0.37050 0.34250 0.91650 1.00000
Ag5 Ag 0.83533 0.80499 0.52436 1.00000
Ag6 Ag 0.16467 0.19501 0.47564 1.00000
Ag7 Ag 0.83533 0.52436 0.80499 1.00000
Ag8 Ag 0.16467 0.47564 0.19501 1.00000
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