Y3Ni6Ge5
Alexandria ALEXAlex-ID: agm005698581 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C6_15_spg59
YNi3Ge2 YNiGe Y(NiGe)2
2023-06-30 12:55:16.444069
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698581).
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 agm005698581
data_agm005698581
_cell_length_a 3.99407
_cell_length_b 9.32239
_cell_length_c 12.16808
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 453.06965
_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
Y1 Y 0.00000 0.24588 0.67021 1.00000
Y2 Y 0.50000 0.75412 0.17021 1.00000
Y3 Y 0.50000 0.75412 0.82979 1.00000
Y4 Y 0.00000 0.24851 0.00000 1.00000
Y5 Y 0.50000 0.75149 0.50000 1.00000
Y6 Y 0.00000 0.24588 0.32979 1.00000
Ni1 Ni 0.00000 0.00254 0.83246 1.00000
Ni2 Ni 0.50000 0.99746 0.66754 1.00000
Ni3 Ni 0.50000 0.40669 0.80976 1.00000
Ni4 Ni 0.50000 0.50401 0.00000 1.00000
Ni5 Ni 0.00000 0.49599 0.50000 1.00000
Ni6 Ni 0.00000 0.59331 0.69024 1.00000
Ni7 Ni 0.00000 0.59331 0.30976 1.00000
Ni8 Ni 0.50000 0.00326 0.00000 1.00000
Ni9 Ni 0.00000 0.00254 0.16754 1.00000
Ni10 Ni 0.50000 0.40669 0.19024 1.00000
Ni11 Ni 0.00000 0.99674 0.50000 1.00000
Ni12 Ni 0.50000 0.99746 0.33246 1.00000
Ge1 Ge 0.00000 0.52448 0.88067 1.00000
Ge2 Ge 0.00000 0.85608 0.66685 1.00000
Ge3 Ge 0.00000 0.85944 0.00000 1.00000
Ge4 Ge 0.50000 0.47552 0.61933 1.00000
Ge5 Ge 0.50000 0.14056 0.50000 1.00000
Ge6 Ge 0.00000 0.52448 0.11933 1.00000
Ge7 Ge 0.50000 0.47552 0.38067 1.00000
Ge8 Ge 0.00000 0.85608 0.33315 1.00000
Ge9 Ge 0.50000 0.14392 0.83315 1.00000
Ge10 Ge 0.50000 0.14392 0.16685 1.00000
