Zr2Zn3Ag
Alexandria ALEXAlex-ID: agm005667638 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2045_spg44
ZrZn2 ZrZn Ag
2023-08-25 11:42:58.622647
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667638).
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 agm005667638
data_agm005667638
_cell_length_a 3.15551
_cell_length_b 4.74220
_cell_length_c 8.05210
_cell_angle_alpha 107.12574
_cell_angle_beta 101.29984
_cell_angle_gamma 90.00000
_cell_volume 112.70316
_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
Zr1 Zr 0.15683 0.15683 0.31366 1.00000
Zr2 Zr 0.84612 0.34612 0.69224 1.00000
Zn1 Zn 0.68731 0.68731 0.37461 1.00000
Zn2 Zn 0.52697 0.52697 0.05395 1.00000
Zn3 Zn 0.30813 0.80813 0.61625 1.00000
Ag1 Ag 0.47464 0.97464 0.94929 1.00000
获取直接链接