Zn(GeIr)2
Alexandria ALEXAlex-ID: agm002951663 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_5_spg139
Zn41Ir8 Zn2Ir Ge5Ir4
2023-03-27 06:56:14.585666
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002951663).
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 agm002951663
data_agm002951663
_cell_length_a 3.78728
_cell_length_b 3.78728
_cell_length_c 6.42987
_cell_angle_alpha 72.87206
_cell_angle_beta 72.87206
_cell_angle_gamma 90.00000
_cell_volume 83.84669
_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
Ge1 Ge 0.75000 0.25000 0.50000 1.00000
Ge2 Ge 0.25000 0.75000 0.50000 1.00000
Ir1 Ir 0.38792 0.38792 0.22415 1.00000
Ir2 Ir 0.61208 0.61208 0.77585 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
获取直接链接