ZrCdIn
Alexandria ALEXAlex-ID: agm016904591 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_620_spg8
ZrCd2In ZrIn
2025-04-14 13:57:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016904591).
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 agm016904591
data_agm016904591
_cell_length_a 4.26632
_cell_length_b 4.52579
_cell_length_c 7.17868
_cell_angle_alpha 90.00000
_cell_angle_beta 107.32018
_cell_angle_gamma 90.00000
_cell_volume 132.32427
_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 0.80474 0.00000 0.48949 1.00000
Zr2 Zr 0.48170 0.00000 0.84212 1.00000
Cd1 Cd 0.64299 0.50000 0.16580 1.00000
Cd2 Cd 0.31245 0.50000 0.50439 1.00000
In1 In 0.14563 0.00000 0.17088 1.00000
In2 In 0.96645 0.50000 0.81254 1.00000
获取直接链接