Nd3In7Ag4
Alexandria ALEXAlex-ID: agm009690072 · 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
A3B4C7_18_spg12
NdInAg2 NdIn3 Ag
2024-05-10 22:38:20.385074
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009690072).
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 agm009690072
data_agm009690072
_cell_length_a 8.99547
_cell_length_b 8.99547
_cell_length_c 10.55680
_cell_angle_alpha 54.35215
_cell_angle_beta 54.35215
_cell_angle_gamma 30.16645
_cell_volume 342.25081
_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 0.30959 0.30959 0.69458 1.00000
Nd2 Nd 0.69041 0.69041 0.30542 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
In1 In 0.32884 0.32884 0.03483 1.00000
In2 In 0.49834 0.49834 0.29460 1.00000
In3 In 0.84393 0.84393 0.42604 1.00000
In4 In 0.67116 0.67116 0.96517 1.00000
In5 In 0.15607 0.15607 0.57396 1.00000
In6 In 0.00000 0.00000 0.50000 1.00000
In7 In 0.50166 0.50166 0.70540 1.00000
Ag1 Ag 0.65443 0.65443 0.72519 1.00000
Ag2 Ag 0.34557 0.34557 0.27481 1.00000
Ag3 Ag 0.86734 0.86734 0.85525 1.00000
Ag4 Ag 0.13266 0.13266 0.14475 1.00000
获取直接链接