Nd2Ag3Pt
Alexandria ALEXAlex-ID: agm005809361 · 空间群: Pmm2 (#25)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_864_spg25
Nd14Ag51 NdAg2 NdPt
2023-08-07 02:23:21.966914
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809361).
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 agm005809361
data_agm005809361
_cell_length_a 3.66456
_cell_length_b 4.80490
_cell_length_c 8.09034
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 142.45346
_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 0.00000 0.50000 0.03291 1.00000
Nd2 Nd 0.00000 0.00000 0.47707 1.00000
Ag1 Ag 0.50000 0.00000 0.82697 1.00000
Ag2 Ag 0.50000 0.00000 0.16198 1.00000
Ag3 Ag 0.50000 0.50000 0.67030 1.00000
Pt1 Pt 0.50000 0.50000 0.33077 1.00000
获取直接链接