NdGeAu2
Alexandria ALEXAlex-ID: agm005654038 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_493_spg164
Nd3(GeAu)4 Nd(GeAu)2 Nd14Au51
2023-07-12 02:55:30.099946
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654038).
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 agm005654038
data_agm005654038
_cell_length_a 4.64317
_cell_length_b 4.64317
_cell_length_c 10.01171
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99995
_cell_angle_gamma 59.99992
_cell_volume 186.92521
_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 1.00000 0.81062 1.00000
Nd2 Nd 1.00000 0.00000 0.18938 1.00000
Ge1 Ge 0.66667 0.66667 0.37186 1.00000
Ge2 Ge 0.33333 0.33333 0.62814 1.00000
Au1 Au 0.66667 0.66667 0.99058 1.00000
Au2 Au 0.33333 0.33333 0.00942 1.00000
Au3 Au 0.66667 0.66667 0.63985 1.00000
Au4 Au 0.33333 0.33333 0.36015 1.00000
